2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

C13H17F3N2O2S — CID 95906733

IUPAC2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCC[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c1-2-9(12-18-10(7-21-12)13(14,15)16)17-11(19)6-8-4-3-5-20-8/h7-9H,2-6H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyDLICIMROMQUZLI-IUCAKERBSA-N
MW322.35 g/mol
LogP3.30
Rot. Bonds5

About 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 95906733) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID95906733
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCC[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c1-2-9(12-18-10(7-21-12)13(14,15)16)17-11(19)6-8-4-3-5-20-8/h7-9H,2-6H2,1H3,(H,17,19)/t8-,9-/m0/s1
InChIKeyDLICIMROMQUZLI-IUCAKERBSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 71985930
3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 71993369
2-[(2S)-oxolan-2-yl]-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906734
2-[(2R)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906735
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906736
3-[(2S)-oxolan-2-yl]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 97578114
3-[(2R)-oxolan-2-yl]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 97578115
2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
CID 110014857
2-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 110015923
2-(1-hydroxycyclopentyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540943
3-hydroxy-4-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide
CID 112390864
N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813031

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 95906733) is 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CC[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is DLICIMROMQUZLI-IUCAKERBSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-2-9(12-18-10(7-21-12)13(14,15)16)17-11(19)6-8-4-3-5-20-8/h7-9H,2-6H2,1H3,(H,17,19)/t8-,9-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 322.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 95906733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).