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

C13H7ClF3N3O2S2 — CID 126470365

IUPAC3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc2scc(-c3ccc(Cl)s3)n2c1=O
InChIInChI=1S/C13H7ClF3N3O2S2/c14-9-2-1-8(24-9)7-4-23-12-18-3-6(11(22)20(7)12)10(21)19-5-13(15,16)17/h1-4H,5H2,(H,19,21)
InChIKeyUPGYMPRBIXTISS-UHFFFAOYSA-N
MW393.80 g/mol
LogP3.43
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470365) has the molecular formula C13H7ClF3N3O2S2 and a molecular weight of 393.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470365
Molecular FormulaC13H7ClF3N3O2S2
Molecular Weight393.80 g/mol
Exact Mass392.96
IUPAC Name3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc2scc(-c3ccc(Cl)s3)n2c1=O
InChIInChI=1S/C13H7ClF3N3O2S2/c14-9-2-1-8(24-9)7-4-23-12-18-3-6(11(22)20(7)12)10(21)19-5-13(15,16)17/h1-4H,5H2,(H,19,21)
InChIKeyUPGYMPRBIXTISS-UHFFFAOYSA-N
XLogP3.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470365) is 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(F)(F)F)c1cnc2scc(-c3ccc(Cl)s3)n2c1=O.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UPGYMPRBIXTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3O2S2/c14-9-2-1-8(24-9)7-4-23-12-18-3-6(11(22)20(7)12)10(21)19-5-13(15,16)17/h1-4H,5H2,(H,19,21).
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 393.80 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).