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

C12H15N3O3S — CID 107318679

IUPACN-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCCCO)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h5,7-8,16H,1-4,6H2,(H,13,17)
InChIKeyNOMFLTJEPXLWQE-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.65
Rot. Bonds6

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

N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 107318679) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID107318679
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCCCO)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h5,7-8,16H,1-4,6H2,(H,13,17)
InChIKeyNOMFLTJEPXLWQE-UHFFFAOYSA-N
XLogP0.65
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 107318679) is N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCCCO)c1cnc2sccn2c1=O.
What is the InChIKey of N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NOMFLTJEPXLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h5,7-8,16H,1-4,6H2,(H,13,17).
What are the key properties of N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107318679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).