5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol

C27H40N2OS — CID 67324527

IUPAC5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCCCCO)C4)n3)ccc21
InChIInChI=1S/C27H40N2OS/c1-26(2)12-13-27(3,4)23-17-20(10-11-22(23)26)24-19-31-25(28-24)21-9-8-15-29(18-21)14-6-5-7-16-30/h10-11,17,19,21,30H,5-9,12-16,18H2,1-4H3
InChIKeyCNKWJDKOKBCVPY-UHFFFAOYSA-N
MW440.70 g/mol
LogP6.50
Rot. Bonds7

About 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol

5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol (PubChem CID 67324527) has the molecular formula C27H40N2OS and a molecular weight of 440.70 g/mol. Its IUPAC name is 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol
PubChem CID67324527
Molecular FormulaC27H40N2OS
Molecular Weight440.70 g/mol
Exact Mass440.29
IUPAC Name5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCCCCO)C4)n3)ccc21
InChIInChI=1S/C27H40N2OS/c1-26(2)12-13-27(3,4)23-17-20(10-11-22(23)26)24-19-31-25(28-24)21-9-8-15-29(18-21)14-6-5-7-16-30/h10-11,17,19,21,30H,5-9,12-16,18H2,1-4H3
InChIKeyCNKWJDKOKBCVPY-UHFFFAOYSA-N
XLogP6.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol (CID 67324527) is 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCCN(CCCCCO)C4)n3)ccc21.
What is the InChIKey of 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol?
The InChIKey is CNKWJDKOKBCVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2OS/c1-26(2)12-13-27(3,4)23-17-20(10-11-22(23)26)24-19-31-25(28-24)21-9-8-15-29(18-21)14-6-5-7-16-30/h10-11,17,19,21,30H,5-9,12-16,18H2,1-4H3.
What are the key properties of 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol?
5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol has a molecular weight of 440.70 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 67324527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).