2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H16N4O3S2 — CID 39084342

IUPAC2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c18-26(23,24)15-3-1-12(2-4-15)10-20-16(22)9-14-11-25-17(21-14)13-5-7-19-8-6-13/h1-8,11H,9-10H2,(H,20,22)(H2,18,23,24)
InChIKeyTZONAUPVBAMMOO-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.71
Rot. Bonds6

About 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 39084342) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID39084342
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c18-26(23,24)15-3-1-12(2-4-15)10-20-16(22)9-14-11-25-17(21-14)13-5-7-19-8-6-13/h1-8,11H,9-10H2,(H,20,22)(H2,18,23,24)
InChIKeyTZONAUPVBAMMOO-UHFFFAOYSA-N
XLogP1.71
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-[2-(dimethylamino)ethyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084396
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55662555
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 39084342) is 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is TZONAUPVBAMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c18-26(23,24)15-3-1-12(2-4-15)10-20-16(22)9-14-11-25-17(21-14)13-5-7-19-8-6-13/h1-8,11H,9-10H2,(H,20,22)(H2,18,23,24).
What are the key properties of 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 39084342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).