5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H16N4O4S2 — CID 4217611

IUPAC5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H16N4O4S2/c16-25(22,23)11-3-1-10(2-4-11)5-6-17-13(20)12-9-18-15-19(14(12)21)7-8-24-15/h1-4,9H,5-8H2,(H,17,20)(H2,16,22,23)
InChIKeyJIPSGBPQKBAKFW-UHFFFAOYSA-N
MW380.45 g/mol
LogP-0.03
Rot. Bonds5

About 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4217611) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4217611
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC Name5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1
InChIInChI=1S/C15H16N4O4S2/c16-25(22,23)11-3-1-10(2-4-11)5-6-17-13(20)12-9-18-15-19(14(12)21)7-8-24-15/h1-4,9H,5-8H2,(H,17,20)(H2,16,22,23)
InChIKeyJIPSGBPQKBAKFW-UHFFFAOYSA-N
XLogP-0.03
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4217611) is 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1.
What is the InChIKey of 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JIPSGBPQKBAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c16-25(22,23)11-3-1-10(2-4-11)5-6-17-13(20)12-9-18-15-19(14(12)21)7-8-24-15/h1-4,9H,5-8H2,(H,17,20)(H2,16,22,23).
What are the key properties of 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4217611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).