N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C12H14F3N3OS — CID 18158487

IUPACN-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NC1CCCC1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)9-5-6-16-11(18-9)20-7-10(19)17-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,19)
InChIKeyAARDJUYNWUZBFV-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.65
Rot. Bonds4

About N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158487) has the molecular formula C12H14F3N3OS and a molecular weight of 305.32 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158487
Molecular FormulaC12H14F3N3OS
Molecular Weight305.32 g/mol
Exact Mass305.08
IUPAC NameN-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NC1CCCC1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)9-5-6-16-11(18-9)20-7-10(19)17-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,19)
InChIKeyAARDJUYNWUZBFV-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158487) is N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nccc(C(F)(F)F)n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is AARDJUYNWUZBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c13-12(14,15)9-5-6-16-11(18-9)20-7-10(19)17-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 305.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).