2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol

C14H22N2OS — CID 167047834

IUPAC2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol
SMILESCN1CCC2(CC1)Cc1nc(C(C)(C)O)sc1C2
InChIInChI=1S/C14H22N2OS/c1-13(2,17)12-15-10-8-14(9-11(10)18-12)4-6-16(3)7-5-14/h17H,4-9H2,1-3H3
InChIKeyDUZCVYVPVNYNQZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.18
Rot. Bonds1

About 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol

2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol (PubChem CID 167047834) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol
PubChem CID167047834
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol
SMILESCN1CCC2(CC1)Cc1nc(C(C)(C)O)sc1C2
InChIInChI=1S/C14H22N2OS/c1-13(2,17)12-15-10-8-14(9-11(10)18-12)4-6-16(3)7-5-14/h17H,4-9H2,1-3H3
InChIKeyDUZCVYVPVNYNQZ-UHFFFAOYSA-N
XLogP2.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
CID 164640351
2-(Difluoromethyl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047849
1'-Propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 156056934
1'-Methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 156482423
1',2-Dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167047826
2-(5-Iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol
CID 167047884
N,N-dimethyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine
CID 167048057
2-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl]propan-2-ol
CID 167048080
N-methyl-1-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)methanamine
CID 167048139
2-Methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048200
N-methyl-1-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-ylmethanamine
CID 167048209
2-Chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167307392

Frequently Asked Questions

What is the IUPAC name of 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol?
The IUPAC name of 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol (CID 167047834) is 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol?
The canonical SMILES for 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol is CN1CCC2(CC1)Cc1nc(C(C)(C)O)sc1C2.
What is the InChIKey of 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol?
The InChIKey is DUZCVYVPVNYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-13(2,17)12-15-10-8-14(9-11(10)18-12)4-6-16(3)7-5-14/h17H,4-9H2,1-3H3.
What are the key properties of 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol?
2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol has a molecular weight of 266.41 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol is sourced from PubChem (CID 167047834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).