7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C16H13ClF3N5O2S — CID 118010465

IUPAC7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESC=Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C(=O)NCC
InChIInChI=1S/C16H13ClF3N5O2S/c1-3-9-13(14(27)21-4-2)25-12(26)5-8(22-15(25)28-9)7-24-11(17)6-10(23-24)16(18,19)20/h3,5-6H,1,4,7H2,2H3,(H,21,27)
InChIKeyGRXVLXWNZJYZDB-UHFFFAOYSA-N
MW431.83 g/mol
LogP3.07
Rot. Bonds5

About 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118010465) has the molecular formula C16H13ClF3N5O2S and a molecular weight of 431.83 g/mol. Its IUPAC name is 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118010465
Molecular FormulaC16H13ClF3N5O2S
Molecular Weight431.83 g/mol
Exact Mass431.04
IUPAC Name7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESC=Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C(=O)NCC
InChIInChI=1S/C16H13ClF3N5O2S/c1-3-9-13(14(27)21-4-2)25-12(26)5-8(22-15(25)28-9)7-24-11(17)6-10(23-24)16(18,19)20/h3,5-6H,1,4,7H2,2H3,(H,21,27)
InChIKeyGRXVLXWNZJYZDB-UHFFFAOYSA-N
XLogP3.07
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-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-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118010465) is 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is C=Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C(=O)NCC.
What is the InChIKey of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is GRXVLXWNZJYZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O2S/c1-3-9-13(14(27)21-4-2)25-12(26)5-8(22-15(25)28-9)7-24-11(17)6-10(23-24)16(18,19)20/h3,5-6H,1,4,7H2,2H3,(H,21,27).
What are the key properties of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 431.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118010465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).