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

C13H19N3O3S — CID 103751011

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-8(2)10(3-5-17)15-11(18)9-7-14-13-16(12(9)19)4-6-20-13/h7-8,10,17H,3-6H2,1-2H3,(H,15,18)
InChIKeyXPXSDLYZRQJYRE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103751011) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID103751011
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-8(2)10(3-5-17)15-11(18)9-7-14-13-16(12(9)19)4-6-20-13/h7-8,10,17H,3-6H2,1-2H3,(H,15,18)
InChIKeyXPXSDLYZRQJYRE-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
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-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103751011) is N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)C(CCO)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XPXSDLYZRQJYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(2)10(3-5-17)15-11(18)9-7-14-13-16(12(9)19)4-6-20-13/h7-8,10,17H,3-6H2,1-2H3,(H,15,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.49, 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-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103751011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).