2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide

C17H12ClN3O4S — CID 112773660

IUPAC2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClN3O4S/c1-25-15-6-5-12(21(23)24)8-13(15)19-16(22)14-9-26-17(20-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,19,22)
InChIKeyZBHOEPPGYMUYAQ-UHFFFAOYSA-N
MW389.82 g/mol
LogP4.63
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 112773660) has the molecular formula C17H12ClN3O4S and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID112773660
Molecular FormulaC17H12ClN3O4S
Molecular Weight389.82 g/mol
Exact Mass389.02
IUPAC Name2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12ClN3O4S/c1-25-15-6-5-12(21(23)24)8-13(15)19-16(22)14-9-26-17(20-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,19,22)
InChIKeyZBHOEPPGYMUYAQ-UHFFFAOYSA-N
XLogP4.63
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789186
(2-chloro-4-nitrophenyl) 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16563467
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84554999
N-(2-methyl-5-nitrophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663035

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 112773660) is 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZBHOEPPGYMUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4S/c1-25-15-6-5-12(21(23)24)8-13(15)19-16(22)14-9-26-17(20-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,19,22).
What are the key properties of 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 389.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).