4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C15H11ClN4S — CID 6006065

IUPAC4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1
InChIInChI=1S/C15H11ClN4S/c16-13-5-3-12(4-6-13)14-10-21-15(19-14)20-18-9-11-2-1-7-17-8-11/h1-10H,(H,19,20)/b18-9-
InChIKeyCQOKTEJQLSCHFO-NVMNQCDNSA-N
MW314.80 g/mol
LogP4.30
Rot. Bonds4

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

4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6006065) has the molecular formula C15H11ClN4S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6006065
Molecular FormulaC15H11ClN4S
Molecular Weight314.80 g/mol
Exact Mass314.04
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1
InChIInChI=1S/C15H11ClN4S/c16-13-5-3-12(4-6-13)14-10-21-15(19-14)20-18-9-11-2-1-7-17-8-11/h1-10H,(H,19,20)/b18-9-
InChIKeyCQOKTEJQLSCHFO-NVMNQCDNSA-N
XLogP4.30
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.30
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

(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
N-(5-chloropyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329395
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
4-(3-Pyridinyl)-2-thiazolamine
CID 154893
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646
(3-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 1092429
N-(5-chloro-2-methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 2213802
N2-(3-pyridyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 2725904

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6006065) is 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C\c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CQOKTEJQLSCHFO-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11ClN4S/c16-13-5-3-12(4-6-13)14-10-21-15(19-14)20-18-9-11-2-1-7-17-8-11/h1-10H,(H,19,20)/b18-9-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 314.80 g/mol, XLogP of 4.30, 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)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6006065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).