N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H13N3O2S — CID 17248280

IUPACN-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-2-3-4-12-9(15)8-7-13-11-14(10(8)16)5-6-17-11/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyFHFQBUCERPWQTL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.29
Rot. Bonds4

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

N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248280) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248280
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-2-3-4-12-9(15)8-7-13-11-14(10(8)16)5-6-17-11/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyFHFQBUCERPWQTL-UHFFFAOYSA-N
XLogP1.29
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-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-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248280) is N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FHFQBUCERPWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-3-4-12-9(15)8-7-13-11-14(10(8)16)5-6-17-11/h5-7H,2-4H2,1H3,(H,12,15).
What are the key properties of N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).