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

C16H12ClN3S — CID 680767

IUPACN-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12ClN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-11H,(H,19,20)
InChIKeyFPHQYBHFAYWQOC-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.91
Rot. Bonds4

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

N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 680767) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID680767
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC NameN-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12ClN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-11H,(H,19,20)
InChIKeyFPHQYBHFAYWQOC-UHFFFAOYSA-N
XLogP4.91
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.91
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-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
2-Amino-4-(3,4-dichlorophenyl)thiazole
CID 618536
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
(E)-2-(2-(3, 4-difluorobenzylidene)hydrazinyl)-4-(4-(trifluoromethyl)phenyl)thiazole
CID 155542324
N1-(4-(4-chlorophenyl)thiazol-2-yl)benzene-1,4-diamine
CID 672872
2-(2-Cyclohexylidenehydrazinyl)-4-phenylthiazole
CID 8443728
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
N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 5331297
4-(4-Chlorophenyl)-N-2-propen-1-yl-2-thiazolamine
CID 2131650

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 680767) is N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=Cc3ccccc3)n2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is FPHQYBHFAYWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-11H,(H,19,20).
What are the key properties of N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 313.81 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).