2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H20F3N3OS — CID 95901047

IUPAC2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(C)(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nccs1
InChIInChI=1S/C14H20F3N3OS/c1-13(2,12-18-5-7-22-12)19-8-11(21)20-6-3-4-10(9-20)14(15,16)17/h5,7,10,19H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeySRPGHMLVJWFEPL-JTQLQIEISA-N
MW335.40 g/mol
LogP2.77
Rot. Bonds4

About 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 95901047) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID95901047
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(C)(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nccs1
InChIInChI=1S/C14H20F3N3OS/c1-13(2,12-18-5-7-22-12)19-8-11(21)20-6-3-4-10(9-20)14(15,16)17/h5,7,10,19H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeySRPGHMLVJWFEPL-JTQLQIEISA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114791
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
1-(3,5-Dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
CID 71923329
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983373
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 118741819
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 95901047) is 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is CC(C)(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is SRPGHMLVJWFEPL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-13(2,12-18-5-7-22-12)19-8-11(21)20-6-3-4-10(9-20)14(15,16)17/h5,7,10,19H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 335.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95901047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).