5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

C13H14FN3O2S2 — CID 43593419

IUPAC5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H14FN3O2S2/c1-8-2-3-9(14)6-12(8)21(18,19)17-13-16-10-4-5-15-7-11(10)20-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyIUEFDDCMNWCRSX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.04
Rot. Bonds3

About 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (PubChem CID 43593419) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
PubChem CID43593419
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC Name5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H14FN3O2S2/c1-8-2-3-9(14)6-12(8)21(18,19)17-13-16-10-4-5-15-7-11(10)20-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyIUEFDDCMNWCRSX-UHFFFAOYSA-N
XLogP2.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593439
2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593428
2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201648
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593429
4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593427
3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
CID 87714637
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593476
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
CID 54936887
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 82799082
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (CID 43593419) is 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The InChIKey is IUEFDDCMNWCRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c1-8-2-3-9(14)6-12(8)21(18,19)17-13-16-10-4-5-15-7-11(10)20-13/h2-3,6,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 43593419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).