7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C17H14F3N3O2S — CID 118009360

IUPAC7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)F)c3F)cc(=O)n12
InChIInChI=1S/C17H14F3N3O2S/c1-8-14(16(25)21-2)23-12(24)7-10(22-17(23)26-8)6-9-4-3-5-11(13(9)18)15(19)20/h3-5,7,15H,6H2,1-2H3,(H,21,25)
InChIKeyNTCLQJBJBXIHQI-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.09
Rot. Bonds4

About 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009360) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009360
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)F)c3F)cc(=O)n12
InChIInChI=1S/C17H14F3N3O2S/c1-8-14(16(25)21-2)23-12(24)7-10(22-17(23)26-8)6-9-4-3-5-11(13(9)18)15(19)20/h3-5,7,15H,6H2,1-2H3,(H,21,25)
InChIKeyNTCLQJBJBXIHQI-UHFFFAOYSA-N
XLogP3.09
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[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 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009360) is 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)F)c3F)cc(=O)n12.
What is the InChIKey of 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is NTCLQJBJBXIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-8-14(16(25)21-2)23-12(24)7-10(22-17(23)26-8)6-9-4-3-5-11(13(9)18)15(19)20/h3-5,7,15H,6H2,1-2H3,(H,21,25).
What are the key properties of 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(difluoromethyl)-2-fluorophenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).