N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine

C28H38N2OS — CID 14146321

IUPACN,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine
SMILESCCCCN(CCCC)CCCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H38N2OS/c1-3-5-19-30(20-6-4-2)21-11-8-12-22-31-26-17-15-24(16-18-26)27-23-32-28(29-27)25-13-9-7-10-14-25/h7,9-10,13-18,23H,3-6,8,11-12,19-22H2,1-2H3
InChIKeyJYOYCUQHJILEQT-UHFFFAOYSA-N
MW450.69 g/mol
LogP7.93
Rot. Bonds15

About N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine

N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine (PubChem CID 14146321) has the molecular formula C28H38N2OS and a molecular weight of 450.69 g/mol. Its IUPAC name is N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine
PubChem CID14146321
Molecular FormulaC28H38N2OS
Molecular Weight450.69 g/mol
Exact Mass450.27
IUPAC NameN,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine
SMILESCCCCN(CCCC)CCCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C28H38N2OS/c1-3-5-19-30(20-6-4-2)21-11-8-12-22-31-26-17-15-24(16-18-26)27-23-32-28(29-27)25-13-9-7-10-14-25/h7,9-10,13-18,23H,3-6,8,11-12,19-22H2,1-2H3
InChIKeyJYOYCUQHJILEQT-UHFFFAOYSA-N
XLogP7.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.69
LogP ≤ 57.93
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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Related Compounds

2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
N-butyl-N-[1-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenoxy]propyl]butan-1-amine
CID 21282291
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
1-pentoxy-4-phenylbenzene
CID 7021155
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944735
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine?
The IUPAC name of N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine (CID 14146321) is N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine.
What is the SMILES notation for N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine?
The canonical SMILES for N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine is CCCCN(CCCC)CCCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine?
The InChIKey is JYOYCUQHJILEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2OS/c1-3-5-19-30(20-6-4-2)21-11-8-12-22-31-26-17-15-24(16-18-26)27-23-32-28(29-27)25-13-9-7-10-14-25/h7,9-10,13-18,23H,3-6,8,11-12,19-22H2,1-2H3.
What are the key properties of N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine?
N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine has a molecular weight of 450.69 g/mol, XLogP of 7.93, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine is sourced from PubChem (CID 14146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).