1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

C12H18N2S — CID 167047826

IUPAC1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCc1nc2c(s1)CC1(CCN(C)CC1)C2
InChIInChI=1S/C12H18N2S/c1-9-13-10-7-12(8-11(10)15-9)3-5-14(2)6-4-12/h3-8H2,1-2H3
InChIKeyXNZZGGBUZYJBRB-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.26
Rot. Bonds

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

1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (PubChem CID 167047826) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

Molecular Properties

Compound Name1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
PubChem CID167047826
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
SMILESCc1nc2c(s1)CC1(CCN(C)CC1)C2
InChIInChI=1S/C12H18N2S/c1-9-13-10-7-12(8-11(10)15-9)3-5-14(2)6-4-12/h3-8H2,1-2H3
InChIKeyXNZZGGBUZYJBRB-UHFFFAOYSA-N
XLogP2.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] with MolForge

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Related Compounds

5,6-Dihydro-2-(3-piperidinyl)-4H-cyclopentathiazole
CID 24261809
4-(4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)piperidine
CID 24261830
4-((4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)methyl)piperidine
CID 24262114
4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidine hydrochloride
CID 177800580
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-methyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125044
2-ethyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125059
2,4-Dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
CID 58125146
2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125171

Frequently Asked Questions

What is the IUPAC name of 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The IUPAC name of 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (CID 167047826) is 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].
What is the SMILES notation for 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The canonical SMILES for 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is Cc1nc2c(s1)CC1(CCN(C)CC1)C2.
What is the InChIKey of 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
The InChIKey is XNZZGGBUZYJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-13-10-7-12(8-11(10)15-9)3-5-14(2)6-4-12/h3-8H2,1-2H3.
What are the key properties of 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?
1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] has a molecular weight of 222.36 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is sourced from PubChem (CID 167047826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).