N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O3S — CID 61245296

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H17N3O3S/c1-8(2)5-9(7-17)15-11(18)10-6-14-13-16(12(10)19)3-4-20-13/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyPLJRNZNIHHVDFD-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.89
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 61245296) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID61245296
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H17N3O3S/c1-8(2)5-9(7-17)15-11(18)10-6-14-13-16(12(10)19)3-4-20-13/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyPLJRNZNIHHVDFD-UHFFFAOYSA-N
XLogP0.89
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 61245296) is N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CC(CO)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PLJRNZNIHHVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8(2)5-9(7-17)15-11(18)10-6-14-13-16(12(10)19)3-4-20-13/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 61245296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).