4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide

C13H14N2O3S2 — CID 75493724

IUPAC4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C13H14N2O3S2/c1-9-12(19-8-14-9)13(16)15-11-6-4-3-5-10(11)7-20(2,17)18/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyWIUYCFQSXXOBRA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.25
Rot. Bonds4

About 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 75493724) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID75493724
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C13H14N2O3S2/c1-9-12(19-8-14-9)13(16)15-11-6-4-3-5-10(11)7-20(2,17)18/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyWIUYCFQSXXOBRA-UHFFFAOYSA-N
XLogP2.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 75493724) is 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccccc1CS(C)(=O)=O.
What is the InChIKey of 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WIUYCFQSXXOBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9-12(19-8-14-9)13(16)15-11-6-4-3-5-10(11)7-20(2,17)18/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75493724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).