(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

C13H15F3N4OS — CID 95906652

IUPAC(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)n1ccnc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(6-22-12)13(14,15)16)18-11(21)8(2)20-5-4-17-7-20/h4-9H,3H2,1-2H3,(H,18,21)/t8-,9+/m0/s1
InChIKeyRJJMZPZQEBMCMQ-DTWKUNHWSA-N
MW332.35 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (PubChem CID 95906652) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
PubChem CID95906652
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)n1ccnc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(6-22-12)13(14,15)16)18-11(21)8(2)20-5-4-17-7-20/h4-9H,3H2,1-2H3,(H,18,21)/t8-,9+/m0/s1
InChIKeyRJJMZPZQEBMCMQ-DTWKUNHWSA-N
XLogP3.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (CID 95906652) is (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is CC[C@@H](NC(=O)[C@H](C)n1ccnc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The InChIKey is RJJMZPZQEBMCMQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(6-22-12)13(14,15)16)18-11(21)8(2)20-5-4-17-7-20/h4-9H,3H2,1-2H3,(H,18,21)/t8-,9+/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 95906652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).