2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide

C11H10N2O3S2 — CID 141096444

IUPAC2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ncc(C(N)=O)s2)cc1
InChIInChI=1S/C11H10N2O3S2/c1-18(15,16)8-4-2-7(3-5-8)11-13-6-9(17-11)10(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyKXKRKDRUYDBSBK-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide

2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 141096444) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID141096444
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ncc(C(N)=O)s2)cc1
InChIInChI=1S/C11H10N2O3S2/c1-18(15,16)8-4-2-7(3-5-8)11-13-6-9(17-11)10(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyKXKRKDRUYDBSBK-UHFFFAOYSA-N
XLogP1.31
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide (CID 141096444) is 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide is CS(=O)(=O)c1ccc(-c2ncc(C(N)=O)s2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KXKRKDRUYDBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-18(15,16)8-4-2-7(3-5-8)11-13-6-9(17-11)10(12)14/h2-6H,1H3,(H2,12,14).
What are the key properties of 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide?
2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141096444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).