2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

C8H8F3N3OS — CID 18158535

IUPAC2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C8H8F3N3OS/c1-4(6(12)15)16-7-13-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H2,12,15)
InChIKeyJBMDUELGMVLJED-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.46
Rot. Bonds3

About 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (PubChem CID 18158535) has the molecular formula C8H8F3N3OS and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
PubChem CID18158535
Molecular FormulaC8H8F3N3OS
Molecular Weight251.23 g/mol
Exact Mass251.03
IUPAC Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C8H8F3N3OS/c1-4(6(12)15)16-7-13-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H2,12,15)
InChIKeyJBMDUELGMVLJED-UHFFFAOYSA-N
XLogP1.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (CID 18158535) is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is CC(Sc1nccc(C(F)(F)F)n1)C(N)=O.
What is the InChIKey of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The InChIKey is JBMDUELGMVLJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3OS/c1-4(6(12)15)16-7-13-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H2,12,15).
What are the key properties of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide has a molecular weight of 251.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 18158535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).