2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride

C28H43ClN2OS — CID 157123513

IUPAC2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride
SMILESCOCCCCCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.Cl
InChIInChI=1S/C28H42N2OS.ClH/c1-27(2)14-15-28(3,4)24-19-22(10-11-23(24)27)25-20-32-26(29-25)30-16-12-21(13-17-30)9-7-6-8-18-31-5;/h10-11,19-21H,6-9,12-18H2,1-5H3;1H
InChIKeyBXTVHARGXIUWTH-UHFFFAOYSA-N
MW491.19 g/mol
LogP8.00
Rot. Bonds8

About 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride

2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride (PubChem CID 157123513) has the molecular formula C28H43ClN2OS and a molecular weight of 491.19 g/mol. Its IUPAC name is 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride
PubChem CID157123513
Molecular FormulaC28H43ClN2OS
Molecular Weight491.19 g/mol
Exact Mass490.28
IUPAC Name2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride
SMILESCOCCCCCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.Cl
InChIInChI=1S/C28H42N2OS.ClH/c1-27(2)14-15-28(3,4)24-19-22(10-11-23(24)27)25-20-32-26(29-25)30-16-12-21(13-17-30)9-7-6-8-18-31-5;/h10-11,19-21H,6-9,12-18H2,1-5H3;1H
InChIKeyBXTVHARGXIUWTH-UHFFFAOYSA-N
XLogP8.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.19
LogP ≤ 58.00
H-Bond Donors ≤ 50
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 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride (CID 157123513) is 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride is COCCCCCC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.Cl.
What is the InChIKey of 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride?
The InChIKey is BXTVHARGXIUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2OS.ClH/c1-27(2)14-15-28(3,4)24-19-22(10-11-23(24)27)25-20-32-26(29-25)30-16-12-21(13-17-30)9-7-6-8-18-31-5;/h10-11,19-21H,6-9,12-18H2,1-5H3;1H.
What are the key properties of 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride?
2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride has a molecular weight of 491.19 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxypentyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 157123513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).