2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H13F3N4O2S — CID 25416725

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nccn1C1CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)6-16-9(20)17-8(19)5-21-10-15-3-4-18(10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,16,17,19,20)
InChIKeyXBTMTWWOWPKLIJ-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.70
Rot. Bonds5

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 25416725) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID25416725
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CSc1nccn1C1CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c12-11(13,14)6-16-9(20)17-8(19)5-21-10-15-3-4-18(10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,16,17,19,20)
InChIKeyXBTMTWWOWPKLIJ-UHFFFAOYSA-N
XLogP1.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6460530
N-cyclopropyl-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4178854
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
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
CID 43038477
N-carbamoyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46696360
2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17395774
N-[(1S)-1-cyclopropylethyl]-2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 40093531
N-[(1R)-1-cyclopropylethyl]-2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 40093532
N-(1-cyclopropylethyl)-2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 42900932
2-(1-methylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 45792903
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 45803336

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 25416725) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CSc1nccn1C1CC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is XBTMTWWOWPKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c12-11(13,14)6-16-9(20)17-8(19)5-21-10-15-3-4-18(10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,16,17,19,20).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 322.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 25416725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).