4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine

C25H31N3OS — CID 14819327

IUPAC4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C1CCN(CCCCc2ccc(-c3csc(N)n3)cc2)CC1
InChIInChI=1S/C25H31N3OS/c1-29-24-8-3-2-7-22(24)20-13-16-28(17-14-20)15-5-4-6-19-9-11-21(12-10-19)23-18-30-25(26)27-23/h2-3,7-12,18,20H,4-6,13-17H2,1H3,(H2,26,27)
InChIKeyDJFOXXDAOMFPBT-UHFFFAOYSA-N
MW421.61 g/mol
LogP5.60
Rot. Bonds8

About 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine

4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 14819327) has the molecular formula C25H31N3OS and a molecular weight of 421.61 g/mol. Its IUPAC name is 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine
PubChem CID14819327
Molecular FormulaC25H31N3OS
Molecular Weight421.61 g/mol
Exact Mass421.22
IUPAC Name4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C1CCN(CCCCc2ccc(-c3csc(N)n3)cc2)CC1
InChIInChI=1S/C25H31N3OS/c1-29-24-8-3-2-7-22(24)20-13-16-28(17-14-20)15-5-4-6-19-9-11-21(12-10-19)23-18-30-25(26)27-23/h2-3,7-12,18,20H,4-6,13-17H2,1H3,(H2,26,27)
InChIKeyDJFOXXDAOMFPBT-UHFFFAOYSA-N
XLogP5.60
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181
4-(4-cyclohexyl-3-methoxyphenyl)-1,3-thiazol-2-amine
CID 174492088
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
N'-(2-methoxyphenyl)-N-[2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 163533283
4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
CID 138056244
2-amino-N-(2-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 92640240

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine (CID 14819327) is 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine is COc1ccccc1C1CCN(CCCCc2ccc(-c3csc(N)n3)cc2)CC1.
What is the InChIKey of 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is DJFOXXDAOMFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3OS/c1-29-24-8-3-2-7-22(24)20-13-16-28(17-14-20)15-5-4-6-19-9-11-21(12-10-19)23-18-30-25(26)27-23/h2-3,7-12,18,20H,4-6,13-17H2,1H3,(H2,26,27).
What are the key properties of 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine?
4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 421.61 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14819327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).