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

C15H14N4O5S2 — CID 135853322

IUPAC7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H14N4O5S2/c16-26(23,24)10-3-1-9(2-4-10)5-6-17-12(20)11-13(21)18-15-19(14(11)22)7-8-25-15/h1-4,7-8,21H,5-6H2,(H,17,20)(H2,16,23,24)
InChIKeyTXJHKKUXBCUSND-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.08
Rot. Bonds5

About 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853322) has the molecular formula C15H14N4O5S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853322
Molecular FormulaC15H14N4O5S2
Molecular Weight394.43 g/mol
Exact Mass394.04
IUPAC Name7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H14N4O5S2/c16-26(23,24)10-3-1-9(2-4-10)5-6-17-12(20)11-13(21)18-15-19(14(11)22)7-8-25-15/h1-4,7-8,21H,5-6H2,(H,17,20)(H2,16,23,24)
InChIKeyTXJHKKUXBCUSND-UHFFFAOYSA-N
XLogP0.08
TPSA143.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853322) is 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2c(O)nc3sccn3c2=O)cc1.
What is the InChIKey of 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is TXJHKKUXBCUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S2/c16-26(23,24)10-3-1-9(2-4-10)5-6-17-12(20)11-13(21)18-15-19(14(11)22)7-8-25-15/h1-4,7-8,21H,5-6H2,(H,17,20)(H2,16,23,24).
What are the key properties of 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).