5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide

C11H8F3N3OS — CID 171510404

IUPAC5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1
InChIInChI=1S/C11H8F3N3OS/c1-5-16-3-7(11(12,13)14)9(17-5)8-2-6(4-19-8)10(15)18/h2-4H,1H3,(H2,15,18)
InChIKeyNQWXBVOKWNZKPK-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.63
Rot. Bonds2

About 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide

5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide (PubChem CID 171510404) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
PubChem CID171510404
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1
InChIInChI=1S/C11H8F3N3OS/c1-5-16-3-7(11(12,13)14)9(17-5)8-2-6(4-19-8)10(15)18/h2-4H,1H3,(H2,15,18)
InChIKeyNQWXBVOKWNZKPK-UHFFFAOYSA-N
XLogP2.63
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide (CID 171510404) is 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide is Cc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1.
What is the InChIKey of 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
The InChIKey is NQWXBVOKWNZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c1-5-16-3-7(11(12,13)14)9(17-5)8-2-6(4-19-8)10(15)18/h2-4H,1H3,(H2,15,18).
What are the key properties of 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide?
5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 171510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).