4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine

C16H18ClN3S — CID 25193733

IUPAC4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1
InChIInChI=1S/C16H18ClN3S/c17-13-9-7-12(8-10-13)15-11-21-16(18-15)20-19-14-5-3-1-2-4-6-14/h7-11H,1-6H2,(H,18,20)
InChIKeyVKHBISVTMMOAPX-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.59
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine (PubChem CID 25193733) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine
PubChem CID25193733
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1
InChIInChI=1S/C16H18ClN3S/c17-13-9-7-12(8-10-13)15-11-21-16(18-15)20-19-14-5-3-1-2-4-6-14/h7-11H,1-6H2,(H,18,20)
InChIKeyVKHBISVTMMOAPX-UHFFFAOYSA-N
XLogP5.59
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylthiazole
CID 40302
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
2-Amino-4-(3,4-dichlorophenyl)thiazole
CID 618536
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
2-(2-Cyclohexylidenehydrazinyl)-4-phenylthiazole
CID 8443728
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 346935
N-[4-(4-Chlorophenyl)-1,3-thiazol-2-YL]-N-phenylamine
CID 2806778
1-(4-Phenylthiazol-2-yl)-2-(propan-2-ylidene)hydrazine
CID 5150870

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine (CID 25193733) is 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine?
The InChIKey is VKHBISVTMMOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c17-13-9-7-12(8-10-13)15-11-21-16(18-15)20-19-14-5-3-1-2-4-6-14/h7-11H,1-6H2,(H,18,20).
What are the key properties of 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine has a molecular weight of 319.86 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(cycloheptylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 25193733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).