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

C12H11ClN2OS — CID 850549

IUPAC2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(Cl)nc1C
InChIInChI=1S/C12H11ClN2OS/c1-7-5-3-4-6-9(7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H,15,16)
InChIKeyDYZDOJDKTQFGSO-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.67
Rot. Bonds2

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

2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 850549) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID850549
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(Cl)nc1C
InChIInChI=1S/C12H11ClN2OS/c1-7-5-3-4-6-9(7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H,15,16)
InChIKeyDYZDOJDKTQFGSO-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 850549) is 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DYZDOJDKTQFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-5-3-4-6-9(7)15-11(16)10-8(2)14-12(13)17-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).