N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H18F3N3O2S — CID 110870064

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C14H18F3N3O2S/c1-13(2,11-18-5-8-23-11)19-10(21)9-3-6-20(7-4-9)12(22)14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,19,21)
InChIKeyGHHBHKPTYMHSQT-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.30
Rot. Bonds3

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110870064) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110870064
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C14H18F3N3O2S/c1-13(2,11-18-5-8-23-11)19-10(21)9-3-6-20(7-4-9)12(22)14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,19,21)
InChIKeyGHHBHKPTYMHSQT-UHFFFAOYSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
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-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
2-Amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 128877136
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]amino]pentanamide
CID 87345784
2-(1,3-thiazol-2-yl)-5-[(2R)-2-(trifluoromethyl)piperidin-1-yl]pentanamide
CID 172769578

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110870064) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(C)(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is GHHBHKPTYMHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-13(2,11-18-5-8-23-11)19-10(21)9-3-6-20(7-4-9)12(22)14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110870064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).