N-octyl-4-(1,3-thiazol-2-yl)aniline

C17H24N2S — CID 63448826

IUPACN-octyl-4-(1,3-thiazol-2-yl)aniline
SMILESCCCCCCCCNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H24N2S/c1-2-3-4-5-6-7-12-18-16-10-8-15(9-11-16)17-19-13-14-20-17/h8-11,13-14,18H,2-7,12H2,1H3
InChIKeyVKUIDZVHTLUNMS-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.58
Rot. Bonds9

About N-octyl-4-(1,3-thiazol-2-yl)aniline

N-octyl-4-(1,3-thiazol-2-yl)aniline (PubChem CID 63448826) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-octyl-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-octyl-4-(1,3-thiazol-2-yl)aniline
PubChem CID63448826
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-octyl-4-(1,3-thiazol-2-yl)aniline
SMILESCCCCCCCCNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H24N2S/c1-2-3-4-5-6-7-12-18-16-10-8-15(9-11-16)17-19-13-14-20-17/h8-11,13-14,18H,2-7,12H2,1H3
InChIKeyVKUIDZVHTLUNMS-UHFFFAOYSA-N
XLogP5.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-hexan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 54862009
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
4-methyl-N-octylaniline
CID 11816856
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-(2,2-dimethoxyethyl)-4-(1,3-thiazol-2-yl)aniline
CID 63696540
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694542
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 60927080
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
4-[4-(octadecylamino)phenyl]aniline
CID 102249845

Frequently Asked Questions

What is the IUPAC name of N-octyl-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-octyl-4-(1,3-thiazol-2-yl)aniline (CID 63448826) is N-octyl-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-octyl-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-octyl-4-(1,3-thiazol-2-yl)aniline is CCCCCCCCNc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-octyl-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is VKUIDZVHTLUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-3-4-5-6-7-12-18-16-10-8-15(9-11-16)17-19-13-14-20-17/h8-11,13-14,18H,2-7,12H2,1H3.
What are the key properties of N-octyl-4-(1,3-thiazol-2-yl)aniline?
N-octyl-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 288.46 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 63448826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).