(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine

C12H12ClN3S — CID 6375370

IUPAC(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
SMILESCC(C)=N/N=C1/N=C(c2ccc(Cl)cc2)CS1
InChIInChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3/b16-12-
InChIKeyKKKQPCWHLTWPFF-VBKFSLOCSA-N
MW265.77 g/mol
LogP3.63
Rot. Bonds2

About (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine

(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine (PubChem CID 6375370) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
PubChem CID6375370
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
SMILESCC(C)=N/N=C1/N=C(c2ccc(Cl)cc2)CS1
InChIInChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3/b16-12-
InChIKeyKKKQPCWHLTWPFF-VBKFSLOCSA-N
XLogP3.63
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine (CID 6375370) is (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine is CC(C)=N/N=C1/N=C(c2ccc(Cl)cc2)CS1.
What is the InChIKey of (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The InChIKey is KKKQPCWHLTWPFF-VBKFSLOCSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3/b16-12-.
What are the key properties of (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
(Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine has a molecular weight of 265.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine is sourced from PubChem (CID 6375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).