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

C18H16F3N3O2S — CID 118017915

IUPACN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3)cc(=O)n12
InChIInChI=1S/C18H16F3N3O2S/c1-3-22-16(26)15-10(2)27-17-23-13(9-14(25)24(15)17)8-11-5-4-6-12(7-11)18(19,20)21/h4-7,9H,3,8H2,1-2H3,(H,22,26)
InChIKeyGYJOUHWOHJBKBT-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.42
Rot. Bonds4

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

N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017915) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017915
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3)cc(=O)n12
InChIInChI=1S/C18H16F3N3O2S/c1-3-22-16(26)15-10(2)27-17-23-13(9-14(25)24(15)17)8-11-5-4-6-12(7-11)18(19,20)21/h4-7,9H,3,8H2,1-2H3,(H,22,26)
InChIKeyGYJOUHWOHJBKBT-UHFFFAOYSA-N
XLogP3.42
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017915) is N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]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)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3)cc(=O)n12.
What is the InChIKey of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is GYJOUHWOHJBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-3-22-16(26)15-10(2)27-17-23-13(9-14(25)24(15)17)8-11-5-4-6-12(7-11)18(19,20)21/h4-7,9H,3,8H2,1-2H3,(H,22,26).
What are the key properties of N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-oxo-7-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).