2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide

C15H18N4O3S2 — CID 4254038

IUPAC2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(C3CCCN3)n2)cc1
InChIInChI=1S/C15H18N4O3S2/c16-24(21,22)11-5-3-10(4-6-11)8-18-14(20)13-9-23-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20)(H2,16,21,22)
InChIKeyDYXLVPQLJYFQBB-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.14
Rot. Bonds5

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

2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 4254038) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID4254038
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2csc(C3CCCN3)n2)cc1
InChIInChI=1S/C15H18N4O3S2/c16-24(21,22)11-5-3-10(4-6-11)8-18-14(20)13-9-23-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20)(H2,16,21,22)
InChIKeyDYXLVPQLJYFQBB-UHFFFAOYSA-N
XLogP1.14
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3700307
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3357908
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405282
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 4254038) is 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2csc(C3CCCN3)n2)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DYXLVPQLJYFQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-24(21,22)11-5-3-10(4-6-11)8-18-14(20)13-9-23-15(19-13)12-2-1-7-17-12/h3-6,9,12,17H,1-2,7-8H2,(H,18,20)(H2,16,21,22).
What are the key properties of 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4254038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).