(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide

C8H6F3N3OS — CID 142058918

IUPAC(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide
SMILESNC(=O)/C=C\Sc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-3-13-7(14-5)16-4-2-6(12)15/h1-4H,(H2,12,15)/b4-2-
InChIKeyMVSUYLUKIUDYHO-RQOWECAXSA-N
MW249.22 g/mol
LogP1.59
Rot. Bonds3

About (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide

(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide (PubChem CID 142058918) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide
PubChem CID142058918
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide
SMILESNC(=O)/C=C\Sc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-3-13-7(14-5)16-4-2-6(12)15/h1-4H,(H2,12,15)/b4-2-
InChIKeyMVSUYLUKIUDYHO-RQOWECAXSA-N
XLogP1.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6465408
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
3-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid
CID 60716746
N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]acetamide
CID 172435050
4-(Trifluoromethyl)-2-((trifluoromethyl)thio)pyrimidine
CID 23237312
2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine
CID 839265
N-cyclooctyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 33589657
N-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 45776025
N-cyclohexyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 47019972

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide?
The IUPAC name of (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide (CID 142058918) is (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide?
The canonical SMILES for (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide is NC(=O)/C=C\Sc1nccc(C(F)(F)F)n1.
What is the InChIKey of (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide?
The InChIKey is MVSUYLUKIUDYHO-RQOWECAXSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)5-1-3-13-7(14-5)16-4-2-6(12)15/h1-4H,(H2,12,15)/b4-2-.
What are the key properties of (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide?
(Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide has a molecular weight of 249.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylprop-2-enamide is sourced from PubChem (CID 142058918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).