N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C14H14F3N3OS2 — CID 3145751

IUPACN-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3OS2/c1-2-5-18-12(21)8-23-13-19-9(10-4-3-6-22-10)7-11(20-13)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,18,21)
InChIKeyGSTOPPZOLGDLGH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.84
Rot. Bonds6

About N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 3145751) has the molecular formula C14H14F3N3OS2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID3145751
Molecular FormulaC14H14F3N3OS2
Molecular Weight361.41 g/mol
Exact Mass361.05
IUPAC NameN-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3OS2/c1-2-5-18-12(21)8-23-13-19-9(10-4-3-6-22-10)7-11(20-13)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,18,21)
InChIKeyGSTOPPZOLGDLGH-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 3145751) is N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CCCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is GSTOPPZOLGDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS2/c1-2-5-18-12(21)8-23-13-19-9(10-4-3-6-22-10)7-11(20-13)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,18,21).
What are the key properties of N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 361.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3145751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).