2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H8Cl2N2OS — CID 850548

IUPAC2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,15,16)
InChIKeyAOYHTBXKOLXDCY-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850548) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850548
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,15,16)
InChIKeyAOYHTBXKOLXDCY-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metsulfovax
CID 88916
N1-(4-chlorophenyl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]hydrazine-1-carboxamide
CID 2743763
N-(3-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 728524
Amicarthiazol
CID 735558
2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850741
2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 695122
2-[(2-chlorophenyl)amino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 802746
5-[(4-Chlorophenyl)amino]-2-methylbenzothiazole-4,7-dione
CID 481746
N-(2-chlorophenyl)-2-[[cyclopropyl(oxo)methyl]amino]-4-methyl-5-thiazolecarboxamide
CID 857262
2-(2,4-dichloroanilino)-4-methyl-N-phenyl-thiazole-5-carboxamide
CID 377067
2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 850243
2-chloro-N-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 850548) is 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AOYHTBXKOLXDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).