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

C13H17N3O3S — CID 61038659

IUPACN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H17N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h5,7-9,17H,3-4,6H2,1-2H3
InChIKeyPDBVEOSFPUSABI-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.99
Rot. Bonds5

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

N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 61038659) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID61038659
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H17N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h5,7-9,17H,3-4,6H2,1-2H3
InChIKeyPDBVEOSFPUSABI-UHFFFAOYSA-N
XLogP0.99
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[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-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 61038659) is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)N(CCCO)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PDBVEOSFPUSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h5,7-9,17H,3-4,6H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 61038659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).