2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

C13H19ClN2S — CID 167307392

IUPAC2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)Cc1nc(Cl)sc1C2
InChIInChI=1S/C13H19ClN2S/c1-9(2)16-5-3-13(4-6-16)7-10-11(8-13)17-12(14)15-10/h9H,3-8H2,1-2H3
InChIKeyUBORIRASNQRAMU-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (PubChem CID 167307392) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

Molecular Properties

Compound Name2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
PubChem CID167307392
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)Cc1nc(Cl)sc1C2
InChIInChI=1S/C13H19ClN2S/c1-9(2)16-5-3-13(4-6-16)7-10-11(8-13)17-12(14)15-10/h9H,3-8H2,1-2H3
InChIKeyUBORIRASNQRAMU-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
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
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048093
2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole
CID 58734289
2,4,4-Trimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
CID 89729318
2,5,5-Trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
CID 118642039
5,5-Dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole
CID 144988225
(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146477722
(4S)-1'-tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 146510516
2-Chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 153548773
(R)-N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 153560315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The IUPAC name of 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (CID 167307392) is 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].
What is the SMILES notation for 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The canonical SMILES for 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is CC(C)N1CCC2(CC1)Cc1nc(Cl)sc1C2.
What is the InChIKey of 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The InChIKey is UBORIRASNQRAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-9(2)16-5-3-13(4-6-16)7-10-11(8-13)17-12(14)15-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] has a molecular weight of 270.83 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is sourced from PubChem (CID 167307392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).