2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3OS — CID 47004238

IUPAC2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-2-4-16-5-3-14-9(16)18-6-8(17)15-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,15,17)
InChIKeyUTIXKQUONMICOV-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.06
Rot. Bonds6

About 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47004238) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47004238
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3OS/c1-2-4-16-5-3-14-9(16)18-6-8(17)15-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,15,17)
InChIKeyUTIXKQUONMICOV-UHFFFAOYSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-cyclohexyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2997769
N-cyclopropyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4178854
N,N-diethyl-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 71870821
1-(Azetidin-1-yl)-2-(1-propylimidazol-2-yl)sulfanylethanone
CID 40009299
N-cyclopropyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
CID 71995545
4,4,4-trifluoro-3-imidazol-1-yl-N-(2-sulfanylethyl)butanamide
CID 177680377
3-sulfanyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide
CID 177681209
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
N-tert-butyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15944404
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
CID 43038477
N-carbamoyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46696360

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 47004238) is 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CCCn1ccnc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UTIXKQUONMICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-4-16-5-3-14-9(16)18-6-8(17)15-7-10(11,12)13/h3,5H,2,4,6-7H2,1H3,(H,15,17).
What are the key properties of 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47004238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).