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

C11H13N3O3S — CID 135853289

IUPAC7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-6(2)5-12-8(15)7-9(16)13-11-14(10(7)17)3-4-18-11/h3-4,6,16H,5H2,1-2H3,(H,12,15)
InChIKeyJHDYAZSQGXWUOH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.85
Rot. Bonds3

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

7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853289) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853289
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-6(2)5-12-8(15)7-9(16)13-11-14(10(7)17)3-4-18-11/h3-4,6,16H,5H2,1-2H3,(H,12,15)
InChIKeyJHDYAZSQGXWUOH-UHFFFAOYSA-N
XLogP0.85
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853289) is 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CNC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JHDYAZSQGXWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6(2)5-12-8(15)7-9(16)13-11-14(10(7)17)3-4-18-11/h3-4,6,16H,5H2,1-2H3,(H,12,15).
What are the key properties of 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).