4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide

C9H10N4O4S3 — CID 63944661

IUPAC4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccnc2)sc1S(N)(=O)=O
InChIInChI=1S/C9H10N4O4S3/c1-6-8(19(10,14)15)18-9(12-6)13-20(16,17)7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyLWTCIWAFBQBPTF-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.29
Rot. Bonds4

About 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide

4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 63944661) has the molecular formula C9H10N4O4S3 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
PubChem CID63944661
Molecular FormulaC9H10N4O4S3
Molecular Weight334.40 g/mol
Exact Mass333.99
IUPAC Name4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccnc2)sc1S(N)(=O)=O
InChIInChI=1S/C9H10N4O4S3/c1-6-8(19(10,14)15)18-9(12-6)13-20(16,17)7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H2,10,14,15)
InChIKeyLWTCIWAFBQBPTF-UHFFFAOYSA-N
XLogP0.29
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide
CID 110454451
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
4-ethyl-N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110665972
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
CID 61131422
4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
CID 63944652
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
pyridine-3-sulfonamide;hydrochloride
CID 67156649
CID 118692694
CID 118692694
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
CID 25040146
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947257
4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 82842347

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide (CID 63944661) is 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide is Cc1nc(NS(=O)(=O)c2cccnc2)sc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is LWTCIWAFBQBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S3/c1-6-8(19(10,14)15)18-9(12-6)13-20(16,17)7-3-2-4-11-5-7/h2-5H,1H3,(H,12,13)(H2,10,14,15).
What are the key properties of 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide?
4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).