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

C15H14F3N5O2S — CID 127047277

IUPACN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25)
InChIKeyIYICRILSRIBTNE-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.08
Rot. Bonds4

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

N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 127047277) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID127047277
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC NameN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25)
InChIKeyIYICRILSRIBTNE-UHFFFAOYSA-N
XLogP2.08
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118017739
N-ethyl-2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438374
N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 31287307
7-[[3-chloro-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009415
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009499
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009557
2-chloro-7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010394
3-bromo-2-methyl-7-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118010440
7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-2-ethenyl-N-ethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010465
2-methyl-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010633
2-methyl-5-oxo-7-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 118010758
3-acetyl-2-methyl-7-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118011002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 127047277) is N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12.
What is the InChIKey of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is IYICRILSRIBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c1-3-19-13(25)12-8(2)26-14-20-9(6-11(24)23(12)14)7-22-5-4-10(21-22)15(16,17)18/h4-6H,3,7H2,1-2H3,(H,19,25).
What are the key properties of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127047277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).