4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole

C20H32N2S — CID 174655952

IUPAC4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC1CCC(C)C2CC(c3csc(C4CCNCC4)n3)CCC12
InChIInChI=1S/C20H32N2S/c1-13-3-4-14(2)18-11-16(5-6-17(13)18)19-12-23-20(22-19)15-7-9-21-10-8-15/h12-18,21H,3-11H2,1-2H3
InChIKeyUXBNUUHOGNDNPV-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.18
Rot. Bonds2

About 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole

4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 174655952) has the molecular formula C20H32N2S and a molecular weight of 332.56 g/mol. Its IUPAC name is 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID174655952
Molecular FormulaC20H32N2S
Molecular Weight332.56 g/mol
Exact Mass332.23
IUPAC Name4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC1CCC(C)C2CC(c3csc(C4CCNCC4)n3)CCC12
InChIInChI=1S/C20H32N2S/c1-13-3-4-14(2)18-11-16(5-6-17(13)18)19-12-23-20(22-19)15-7-9-21-10-8-15/h12-18,21H,3-11H2,1-2H3
InChIKeyUXBNUUHOGNDNPV-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole with MolForge

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Related Compounds

4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
[4-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667593
2-piperidin-4-yl-1,3-thiazole-4-carbonitrile
CID 162341042
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509

Frequently Asked Questions

What is the IUPAC name of 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole (CID 174655952) is 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole is CC1CCC(C)C2CC(c3csc(C4CCNCC4)n3)CCC12.
What is the InChIKey of 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is UXBNUUHOGNDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2S/c1-13-3-4-14(2)18-11-16(5-6-17(13)18)19-12-23-20(22-19)15-7-9-21-10-8-15/h12-18,21H,3-11H2,1-2H3.
What are the key properties of 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 332.56 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 174655952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).