3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H12F3N3O3S — CID 126470688

IUPAC3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2csc3ncc(C(=O)NCC(F)(F)F)c(=O)n23)c1
InChIInChI=1S/C16H12F3N3O3S/c1-25-10-4-2-3-9(5-10)12-7-26-15-20-6-11(14(24)22(12)15)13(23)21-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23)
InChIKeyVPKALYWPXUECOB-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.72
Rot. Bonds4

About 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470688) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470688
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(-c2csc3ncc(C(=O)NCC(F)(F)F)c(=O)n23)c1
InChIInChI=1S/C16H12F3N3O3S/c1-25-10-4-2-3-9(5-10)12-7-26-15-20-6-11(14(24)22(12)15)13(23)21-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23)
InChIKeyVPKALYWPXUECOB-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470182
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248659
3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470365
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469776
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
methyl 4,5-dimethoxy-2-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 17248499
3-tert-butyl-5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470964
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471203

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470688) is 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc(-c2csc3ncc(C(=O)NCC(F)(F)F)c(=O)n23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VPKALYWPXUECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c1-25-10-4-2-3-9(5-10)12-7-26-15-20-6-11(14(24)22(12)15)13(23)21-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).