4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole

C19H24N2S — CID 67324926

IUPAC4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESC[C@H]1CCCc2ccc(-c3csc(C4CCNCC4)n3)cc21
InChIInChI=1S/C19H24N2S/c1-13-3-2-4-14-5-6-16(11-17(13)14)18-12-22-19(21-18)15-7-9-20-10-8-15/h5-6,11-13,15,20H,2-4,7-10H2,1H3/t13-/m0/s1
InChIKeyRWVAWDWTUXYSNS-ZDUSSCGKSA-N
MW312.48 g/mol
LogP4.72
Rot. Bonds2

About 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole

4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 67324926) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID67324926
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole
SMILESC[C@H]1CCCc2ccc(-c3csc(C4CCNCC4)n3)cc21
InChIInChI=1S/C19H24N2S/c1-13-3-2-4-14-5-6-16(11-17(13)14)18-12-22-19(21-18)15-7-9-20-10-8-15/h5-6,11-13,15,20H,2-4,7-10H2,1H3/t13-/m0/s1
InChIKeyRWVAWDWTUXYSNS-ZDUSSCGKSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole (CID 67324926) is 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole is C[C@H]1CCCc2ccc(-c3csc(C4CCNCC4)n3)cc21.
What is the InChIKey of 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is RWVAWDWTUXYSNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-3-2-4-14-5-6-16(11-17(13)14)18-12-22-19(21-18)15-7-9-20-10-8-15/h5-6,11-13,15,20H,2-4,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole?
4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 312.48 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8S)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 67324926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).