N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide

C10H11N3O2S2 — CID 110665959

IUPACN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)sc1-c1cccnc1
InChIInChI=1S/C10H11N3O2S2/c1-7-9(8-4-3-5-11-6-8)16-10(12-7)13-17(2,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyZMGPLOIGQOLQSQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.89
Rot. Bonds3

About N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide

N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 110665959) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID110665959
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)sc1-c1cccnc1
InChIInChI=1S/C10H11N3O2S2/c1-7-9(8-4-3-5-11-6-8)16-10(12-7)13-17(2,14)15/h3-6H,1-2H3,(H,12,13)
InChIKeyZMGPLOIGQOLQSQ-UHFFFAOYSA-N
XLogP1.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide (CID 110665959) is N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide is Cc1nc(NS(C)(=O)=O)sc1-c1cccnc1.
What is the InChIKey of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is ZMGPLOIGQOLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-9(8-4-3-5-11-6-8)16-10(12-7)13-17(2,14)15/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide?
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 110665959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).