(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H20F3N3OS — CID 97241094

IUPAC(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CCc1nccs1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyZGDJSANGZMDXPJ-NSHDSACASA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds5

About (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97241094) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97241094
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(CCc1nccs1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyZGDJSANGZMDXPJ-NSHDSACASA-N
XLogP2.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
1-{2-[Methyl(1,3-thiazol-2-ylmethyl)amino]ethyl}piperidin-2-one
CID 74248707
3-[Methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 75431807
N-ethyl-2-(2-oxopiperidin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 84589758
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
4,4-Difluoro-1-[3-(1,3-thiazol-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one
CID 118546627
2-(1,3-thiazol-2-yl)-5-[(2R)-2-(trifluoromethyl)piperidin-1-yl]pentanamide
CID 172769578
2-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71986834
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388046
2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95901047
2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95901048

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97241094) is (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CN(CCc1nccs1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZGDJSANGZMDXPJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-19(7-4-12-18-5-8-22-12)13(21)11-3-2-6-20(9-11)10-14(15,16)17/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97241094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).