1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone

C15H22N2OS — CID 164640351

IUPAC1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nc3c(s2)CCC3(C)C)C1
InChIInChI=1S/C15H22N2OS/c1-10(18)17-8-4-5-11(9-17)14-16-13-12(19-14)6-7-15(13,2)3/h11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyQVWMHFULQYZDLY-NSHDSACASA-N
MW278.42 g/mol
LogP3.09
Rot. Bonds1

About 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone

1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 164640351) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID164640351
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nc3c(s2)CCC3(C)C)C1
InChIInChI=1S/C15H22N2OS/c1-10(18)17-8-4-5-11(9-17)14-16-13-12(19-14)6-7-15(13,2)3/h11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyQVWMHFULQYZDLY-NSHDSACASA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
CID 166417518
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
1',2-Dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047826
(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
CID 167047832
2-(1'-Methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol
CID 167047834
2-Chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167307392
Tert-butyl 2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 167307665
tert-butyl-[(1'-carboxy-2-methylspiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-ylidene)amino]-oxidosulfanium
CID 173889175
2-Methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 175736606
N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
CID 175736613
2-[(Dimethylamino)methyl]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 175736621

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone (CID 164640351) is 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2nc3c(s2)CCC3(C)C)C1.
What is the InChIKey of 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QVWMHFULQYZDLY-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(18)17-8-4-5-11(9-17)14-16-13-12(19-14)6-7-15(13,2)3/h11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone?
1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 278.42 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 164640351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).