N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C8H6F3N3OS — CID 118009401

IUPACN-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC(F)(F)F)C1=CSC2=NC=CCN12
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)13-6(15)5-4-16-7-12-2-1-3-14(5)7/h1-2,4H,3H2,(H,13,15)
InChIKeyFGHQZWFIYGCOKR-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.40
Rot. Bonds1

About N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009401) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009401
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC NameN-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC(F)(F)F)C1=CSC2=NC=CCN12
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)13-6(15)5-4-16-7-12-2-1-3-14(5)7/h1-2,4H,3H2,(H,13,15)
InChIKeyFGHQZWFIYGCOKR-UHFFFAOYSA-N
XLogP1.40
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-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-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009401) is N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is O=C(NC(F)(F)F)C1=CSC2=NC=CCN12.
What is the InChIKey of N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is FGHQZWFIYGCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)13-6(15)5-4-16-7-12-2-1-3-14(5)7/h1-2,4H,3H2,(H,13,15).
What are the key properties of N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).