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

C10H9F2N3O3S — CID 103769886

IUPACN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h1-3,6-7,16H,4H2,(H,13,17)
InChIKeyAISRKRRPHIKZGM-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.11
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103769886) has the molecular formula C10H9F2N3O3S and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID103769886
Molecular FormulaC10H9F2N3O3S
Molecular Weight289.26 g/mol
Exact Mass289.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h1-3,6-7,16H,4H2,(H,13,17)
InChIKeyAISRKRRPHIKZGM-UHFFFAOYSA-N
XLogP0.11
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,3-difluoro-2-hydroxypropyl)-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-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103769886) is N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)C(F)F)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AISRKRRPHIKZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h1-3,6-7,16H,4H2,(H,13,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103769886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).