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

C10H8F3N3O3S — CID 167965563

IUPAC3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NOCC(F)(F)F)c(=O)n12
InChIInChI=1S/C10H8F3N3O3S/c1-5-3-20-9-14-2-6(8(18)16(5)9)7(17)15-19-4-10(11,12)13/h2-3H,4H2,1H3,(H,15,17)
InChIKeyOKLATYRWJGGAFT-UHFFFAOYSA-N
MW307.25 g/mol
LogP1.29
Rot. Bonds3

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

3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 167965563) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID167965563
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC Name3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NOCC(F)(F)F)c(=O)n12
InChIInChI=1S/C10H8F3N3O3S/c1-5-3-20-9-14-2-6(8(18)16(5)9)7(17)15-19-4-10(11,12)13/h2-3H,4H2,1H3,(H,15,17)
InChIKeyOKLATYRWJGGAFT-UHFFFAOYSA-N
XLogP1.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767103
5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 81341103
5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 81343610
N-(tert-butyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4388343
N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60700491
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469938
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470183
3-tert-butyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470209
3-methyl-5-oxo-N-prop-2-enoxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470273
3-tert-butyl-N-(2-methylprop-2-enoxy)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470437

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 167965563) is 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NOCC(F)(F)F)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OKLATYRWJGGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c1-5-3-20-9-14-2-6(8(18)16(5)9)7(17)15-19-4-10(11,12)13/h2-3H,4H2,1H3,(H,15,17).
What are the key properties of 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167965563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).