4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline

C24H30N2S — CID 58933101

IUPAC4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline
SMILESCCCCc1ccc(NC(CCCC)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H30N2S/c1-3-5-10-19-14-16-21(17-15-19)25-22(13-6-4-2)23-18-27-24(26-23)20-11-8-7-9-12-20/h7-9,11-12,14-18,22,25H,3-6,10,13H2,1-2H3
InChIKeyKCBJIXKKNPYEQY-UHFFFAOYSA-N
MW378.59 g/mol
LogP7.50
Rot. Bonds10

About 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline

4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline (PubChem CID 58933101) has the molecular formula C24H30N2S and a molecular weight of 378.59 g/mol. Its IUPAC name is 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline
PubChem CID58933101
Molecular FormulaC24H30N2S
Molecular Weight378.59 g/mol
Exact Mass378.21
IUPAC Name4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline
SMILESCCCCc1ccc(NC(CCCC)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H30N2S/c1-3-5-10-19-14-16-21(17-15-19)25-22(13-6-4-2)23-18-27-24(26-23)20-11-8-7-9-12-20/h7-9,11-12,14-18,22,25H,3-6,10,13H2,1-2H3
InChIKeyKCBJIXKKNPYEQY-UHFFFAOYSA-N
XLogP7.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
CID 58933072
4-butyl-N-(1-thiophen-2-ylpentyl)aniline
CID 89492358
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
1-butyl-4-phenylbenzene;ethane
CID 143743409
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
[4-[(2S)-2-[(4-methyl-1λ3-ioda-2-thia-5-azacyclopenta-3,5-dien-3-yl)amino]-2-(2-phenyl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid
CID 152946099
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline?
The IUPAC name of 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline (CID 58933101) is 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline.
What is the SMILES notation for 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline?
The canonical SMILES for 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline is CCCCc1ccc(NC(CCCC)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline?
The InChIKey is KCBJIXKKNPYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2S/c1-3-5-10-19-14-16-21(17-15-19)25-22(13-6-4-2)23-18-27-24(26-23)20-11-8-7-9-12-20/h7-9,11-12,14-18,22,25H,3-6,10,13H2,1-2H3.
What are the key properties of 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline?
4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline has a molecular weight of 378.59 g/mol, XLogP of 7.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline is sourced from PubChem (CID 58933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).