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

C11H8Cl2N2OS — CID 2779919

IUPAC3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Cl)nsc1-c1ccccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-14-11(16)8-9(17-15-10(8)13)6-4-2-3-5-7(6)12/h2-5H,1H3,(H,14,16)
InChIKeySGWIZWKLNWANSN-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.48
Rot. Bonds2

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

3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 2779919) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID2779919
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Cl)nsc1-c1ccccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-14-11(16)8-9(17-15-10(8)13)6-4-2-3-5-7(6)12/h2-5H,1H3,(H,14,16)
InChIKeySGWIZWKLNWANSN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,5-dichloro-1,2-thiazole-4-carboxamide
CID 707068
3-(4-Chlorophenyl)-5-methyl-1,2-thiazole-4-carboxamide
CID 163677959
3-Chloro-5-(m-trifluoromethylphenyl)-4-isothiazolecarboxamide
CID 13139557
3-Chloro-5-phenylisothiazole-4-carboxamide
CID 694503
3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-thiazole-4-carboxamide
CID 71829960
3-Chloro-5-(2-chlorophenyl)isothiazole-4-carboxamide
CID 2779904
3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 18721479
3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide
CID 59098162
3-(4-Chlorophenyl)-5-phenylisothiazole-4-carboxylic acid methoxymethylamide
CID 67372377
3,4-dichloro-N-[[(2-phenylacetyl)amino]methyl]-1,2-thiazole-5-carboxamide
CID 88087453
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
CID 134397035
4-tert-butyl-N-[(3,4-dichloro-1,2-thiazol-5-yl)methyl]benzamide
CID 140177007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide (CID 2779919) is 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(Cl)nsc1-c1ccccc1Cl.
What is the InChIKey of 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is SGWIZWKLNWANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-14-11(16)8-9(17-15-10(8)13)6-4-2-3-5-7(6)12/h2-5H,1H3,(H,14,16).
What are the key properties of 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide?
3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chlorophenyl)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 2779919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).