(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide

C16H22F3N3OS — CID 166289149

IUPAC(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1nc2c(s1)CCC2
InChIInChI=1S/C16H22F3N3OS/c1-9-8-11(16(17,18)19)6-7-22(9)15(23)20-10(2)14-21-12-4-3-5-13(12)24-14/h9-11H,3-8H2,1-2H3,(H,20,23)/t9-,10?,11-/m0/s1
InChIKeyHNARDUGSPDOWDH-JRUYECLLSA-N
MW361.43 g/mol
LogP4.07
Rot. Bonds2

About (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide

(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166289149) has the molecular formula C16H22F3N3OS and a molecular weight of 361.43 g/mol. Its IUPAC name is (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166289149
Molecular FormulaC16H22F3N3OS
Molecular Weight361.43 g/mol
Exact Mass361.14
IUPAC Name(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1nc2c(s1)CCC2
InChIInChI=1S/C16H22F3N3OS/c1-9-8-11(16(17,18)19)6-7-22(9)15(23)20-10(2)14-21-12-4-3-5-13(12)24-14/h9-11H,3-8H2,1-2H3,(H,20,23)/t9-,10?,11-/m0/s1
InChIKeyHNARDUGSPDOWDH-JRUYECLLSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164638829
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497427
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794846
(3R)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794847
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine
CID 116535750
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine-1-carboxamide
CID 126799277
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-methoxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 137835432
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166236601
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166255563
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166255666
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166272488
N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166279687

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166289149) is (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide is CC(NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)c1nc2c(s1)CCC2.
What is the InChIKey of (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is HNARDUGSPDOWDH-JRUYECLLSA-N. The full InChI is InChI=1S/C16H22F3N3OS/c1-9-8-11(16(17,18)19)6-7-22(9)15(23)20-10(2)14-21-12-4-3-5-13(12)24-14/h9-11H,3-8H2,1-2H3,(H,20,23)/t9-,10?,11-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide?
(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166289149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).