N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide

C13H12ClN3OS — CID 168887163

IUPACN-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide
SMILESCc1nc(C)c(/C(=N\NC=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3OS/c1-8-13(19-9(2)16-8)12(17-15-7-18)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,18)/b17-12-
InChIKeyMOWMIYRUURXAIH-ATVHPVEESA-N
MW293.78 g/mol
LogP2.91
Rot. Bonds4

About N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide

N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide (PubChem CID 168887163) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide
PubChem CID168887163
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC NameN-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide
SMILESCc1nc(C)c(/C(=N\NC=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClN3OS/c1-8-13(19-9(2)16-8)12(17-15-7-18)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,18)/b17-12-
InChIKeyMOWMIYRUURXAIH-ATVHPVEESA-N
XLogP2.91
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 3145256
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337729
6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 61317360
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide?
The IUPAC name of N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide (CID 168887163) is N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide is Cc1nc(C)c(/C(=N\NC=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide?
The InChIKey is MOWMIYRUURXAIH-ATVHPVEESA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-8-13(19-9(2)16-8)12(17-15-7-18)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,18)/b17-12-.
What are the key properties of N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide?
N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide has a molecular weight of 293.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-chlorophenyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]amino]formamide is sourced from PubChem (CID 168887163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).