4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline

C20H28N2S — CID 83526081

IUPAC4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline
SMILESCCCCC1CCC(c2csc(Cc3ccc(N)cc3)n2)CC1
InChIInChI=1S/C20H28N2S/c1-2-3-4-15-5-9-17(10-6-15)19-14-23-20(22-19)13-16-7-11-18(21)12-8-16/h7-8,11-12,14-15,17H,2-6,9-10,13,21H2,1H3
InChIKeyLOBJCYIXPBHWFH-UHFFFAOYSA-N
MW328.52 g/mol
LogP5.78
Rot. Bonds6

About 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline

4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline (PubChem CID 83526081) has the molecular formula C20H28N2S and a molecular weight of 328.52 g/mol. Its IUPAC name is 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline
PubChem CID83526081
Molecular FormulaC20H28N2S
Molecular Weight328.52 g/mol
Exact Mass328.20
IUPAC Name4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline
SMILESCCCCC1CCC(c2csc(Cc3ccc(N)cc3)n2)CC1
InChIInChI=1S/C20H28N2S/c1-2-3-4-15-5-9-17(10-6-15)19-14-23-20(22-19)13-16-7-11-18(21)12-8-16/h7-8,11-12,14-15,17H,2-6,9-10,13,21H2,1H3
InChIKeyLOBJCYIXPBHWFH-UHFFFAOYSA-N
XLogP5.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
CID 170294315
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316145
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-octylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316086
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-butylcyclohexyl]phenyl]methyl]aniline
CID 22316038
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
2-[(4-aminophenyl)methyl]-6-[4-(4-octylcyclohexyl)cyclohexyl]aniline
CID 139879951
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
CID 116968523
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
CID 70181441
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline?
The IUPAC name of 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline (CID 83526081) is 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline?
The canonical SMILES for 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline is CCCCC1CCC(c2csc(Cc3ccc(N)cc3)n2)CC1.
What is the InChIKey of 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline?
The InChIKey is LOBJCYIXPBHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2S/c1-2-3-4-15-5-9-17(10-6-15)19-14-23-20(22-19)13-16-7-11-18(21)12-8-16/h7-8,11-12,14-15,17H,2-6,9-10,13,21H2,1H3.
What are the key properties of 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline?
4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline has a molecular weight of 328.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline is sourced from PubChem (CID 83526081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).