(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C15H22F3N3OS — CID 25406185

IUPAC(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(S[C@@H](C)C(=O)NCC(F)(F)F)n(C2CCCC2)c1C
InChIInChI=1S/C15H22F3N3OS/c1-9-10(2)21(12-6-4-5-7-12)14(20-9)23-11(3)13(22)19-8-15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyZEQYWXWZXWLAIJ-NSHDSACASA-N
MW349.42 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 25406185) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID25406185
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(S[C@@H](C)C(=O)NCC(F)(F)F)n(C2CCCC2)c1C
InChIInChI=1S/C15H22F3N3OS/c1-9-10(2)21(12-6-4-5-7-12)14(20-9)23-11(3)13(22)19-8-15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyZEQYWXWZXWLAIJ-NSHDSACASA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 25406185) is (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is Cc1nc(S[C@@H](C)C(=O)NCC(F)(F)F)n(C2CCCC2)c1C.
What is the InChIKey of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZEQYWXWZXWLAIJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-9-10(2)21(12-6-4-5-7-12)14(20-9)23-11(3)13(22)19-8-15(16,17)18/h11-12H,4-8H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 349.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 25406185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).