4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

C15H12ClN3S2 — CID 6385098

IUPAC4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C15H12ClN3S2/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyITWOPFOSIWSCID-ZDLGFXPLSA-N
MW333.87 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6385098) has the molecular formula C15H12ClN3S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID6385098
Molecular FormulaC15H12ClN3S2
Molecular Weight333.87 g/mol
Exact Mass333.02
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C15H12ClN3S2/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyITWOPFOSIWSCID-ZDLGFXPLSA-N
XLogP5.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
1-(4-Phenylthiazol-2-yl)-2-(propan-2-ylidene)hydrazine
CID 5150870
Tyrosinase-IN-12
CID 6322770
(E)-4-phenyl-2-((E)-(thiophen-2-ylmethylene)hydrazono)-2,3-dihydrothiazole
CID 9556718
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9929077
4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)-1,3-thiazole
CID 25193530
4-(4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 650510
4-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
[4-(4-Chloro-phenyl)-thiazol-2-yl]-ethyl-amine
CID 646058

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 6385098) is 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ITWOPFOSIWSCID-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12ClN3S2/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 333.87 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6385098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).