2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide

C16H15N5O3S2 — CID 90509881

IUPAC2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C16H15N5O3S2/c17-26(23,24)12-6-4-11(5-7-12)9-19-15(22)13-10-25-16(20-13)21-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,19,22)(H2,17,23,24)(H,18,20,21)
InChIKeyAHLUNUZBNAAICG-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.86
Rot. Bonds6

About 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 90509881) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID90509881
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC Name2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C16H15N5O3S2/c17-26(23,24)12-6-4-11(5-7-12)9-19-15(22)13-10-25-16(20-13)21-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,19,22)(H2,17,23,24)(H,18,20,21)
InChIKeyAHLUNUZBNAAICG-UHFFFAOYSA-N
XLogP1.86
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405282
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 90509881) is 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2csc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AHLUNUZBNAAICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c17-26(23,24)12-6-4-11(5-7-12)9-19-15(22)13-10-25-16(20-13)21-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,19,22)(H2,17,23,24)(H,18,20,21).
What are the key properties of 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).