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2D Structure
Also known as: 570407-42-0, Starbld0039392, Schembl1668079, Amy40539, 2-amino-4-(4-chlorothien-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazole, 4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-amine
Molecular Formula
C17H23ClN4S2
Molecular Weight
383.0  g/mol
InChI Key
FQQOPZRSAIEOGH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-amine
2.1.2 InChI
InChI=1S/C17H23ClN4S2/c18-12-10-14(23-11-12)15-16(24-17(19)20-15)22-8-6-21(7-9-22)13-4-2-1-3-5-13/h10-11,13H,1-9H2,(H2,19,20)
2.1.3 InChI Key
FQQOPZRSAIEOGH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)N)C4=CC(=CS4)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 570407-42-0

2. Starbld0039392

3. Schembl1668079

4. Amy40539

5. 2-amino-4-(4-chlorothien-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazole

6. 4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-amine

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 383.0 g/mol
Molecular Formula C17H23ClN4S2
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass382.1052668 g/mol
Monoisotopic Mass382.1052668 g/mol
Topological Polar Surface Area102 Ų
Heavy Atom Count24
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1