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

C11H8Cl2N2OS — CID 850741

IUPAC2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,15,16)
InChIKeyMMCSSJYRCPJCTH-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.01
Rot. Bonds2

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

2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850741) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850741
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,15,16)
InChIKeyMMCSSJYRCPJCTH-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 850741) is 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MMCSSJYRCPJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6-9(17-11(13)14-6)10(16)15-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-chloro-N-(2-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-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).