2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C10H7F3N4OS — CID 47296234

IUPAC2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ncccn2)n1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)5-16-8(18)6-4-19-9(17-6)7-14-2-1-3-15-7/h1-4H,5H2,(H,16,18)
InChIKeyZUDWJIJMEXIBLD-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.89
Rot. Bonds3

About 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 47296234) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID47296234
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC Name2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ncccn2)n1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)5-16-8(18)6-4-19-9(17-6)7-14-2-1-3-15-7/h1-4H,5H2,(H,16,18)
InChIKeyZUDWJIJMEXIBLD-UHFFFAOYSA-N
XLogP1.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 47296234) is 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1csc(-c2ncccn2)n1.
What is the InChIKey of 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZUDWJIJMEXIBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c11-10(12,13)5-16-8(18)6-4-19-9(17-6)7-14-2-1-3-15-7/h1-4H,5H2,(H,16,18).
What are the key properties of 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 288.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47296234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).