2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide

C9H4ClF3N4OS — CID 171468885

IUPAC2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2nc(Cl)ncc2C(F)(F)F)n1
InChIInChI=1S/C9H4ClF3N4OS/c10-8-15-1-3(9(11,12)13)5(17-8)7-16-4(2-19-7)6(14)18/h1-2H,(H2,14,18)
InChIKeyXYCDNHQGRVLRJG-UHFFFAOYSA-N
MW308.67 g/mol
LogP2.37
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide

2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171468885) has the molecular formula C9H4ClF3N4OS and a molecular weight of 308.67 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID171468885
Molecular FormulaC9H4ClF3N4OS
Molecular Weight308.67 g/mol
Exact Mass307.97
IUPAC Name2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2nc(Cl)ncc2C(F)(F)F)n1
InChIInChI=1S/C9H4ClF3N4OS/c10-8-15-1-3(9(11,12)13)5(17-8)7-16-4(2-19-7)6(14)18/h1-2H,(H2,14,18)
InChIKeyXYCDNHQGRVLRJG-UHFFFAOYSA-N
XLogP2.37
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide (CID 171468885) is 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2nc(Cl)ncc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XYCDNHQGRVLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4OS/c10-8-15-1-3(9(11,12)13)5(17-8)7-16-4(2-19-7)6(14)18/h1-2H,(H2,14,18).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide?
2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 308.67 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171468885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).