N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

C14H12N4O3S2 — CID 734500

IUPACN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C14H12N4O3S2/c1-15-23(20,21)10-2-3-11-12(8-10)22-14(17-11)18-13(19)9-4-6-16-7-5-9/h2-8,15H,1H3,(H,17,18,19)
InChIKeyBXAZPVGCCBBQRF-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.85
Rot. Bonds4

About N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide (PubChem CID 734500) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
PubChem CID734500
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C14H12N4O3S2/c1-15-23(20,21)10-2-3-11-12(8-10)22-14(17-11)18-13(19)9-4-6-16-7-5-9/h2-8,15H,1H3,(H,17,18,19)
InChIKeyBXAZPVGCCBBQRF-UHFFFAOYSA-N
XLogP1.85
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide 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

3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 3301503
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
4-amino-N-[6-[[2-[(4-aminobenzoyl)amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]benzamide
CID 4205104
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
CID 3339715
2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5151234

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide (CID 734500) is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide is CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1.
What is the InChIKey of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is BXAZPVGCCBBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-15-23(20,21)10-2-3-11-12(8-10)22-14(17-11)18-13(19)9-4-6-16-7-5-9/h2-8,15H,1H3,(H,17,18,19).
What are the key properties of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 734500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).