4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine

C28H34N4S — CID 71221333

IUPAC4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
SMILESCc1csc(C(Cc2c[nH]c3ccccc23)NC2CCC(c3ccccc3)(N(C)C)CC2)n1
InChIInChI=1S/C28H34N4S/c1-20-19-33-27(30-20)26(17-21-18-29-25-12-8-7-11-24(21)25)31-23-13-15-28(16-14-23,32(2)3)22-9-5-4-6-10-22/h4-12,18-19,23,26,29,31H,13-17H2,1-3H3
InChIKeyGHBCTIZUDTUBOT-UHFFFAOYSA-N
MW458.68 g/mol
LogP6.21
Rot. Bonds7

About 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine

4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine (PubChem CID 71221333) has the molecular formula C28H34N4S and a molecular weight of 458.68 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
PubChem CID71221333
Molecular FormulaC28H34N4S
Molecular Weight458.68 g/mol
Exact Mass458.25
IUPAC Name4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine
SMILESCc1csc(C(Cc2c[nH]c3ccccc23)NC2CCC(c3ccccc3)(N(C)C)CC2)n1
InChIInChI=1S/C28H34N4S/c1-20-19-33-27(30-20)26(17-21-18-29-25-12-8-7-11-24(21)25)31-23-13-15-28(16-14-23,32(2)3)22-9-5-4-6-10-22/h4-12,18-19,23,26,29,31H,13-17H2,1-3H3
InChIKeyGHBCTIZUDTUBOT-UHFFFAOYSA-N
XLogP6.21
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.68
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine 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

2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 68785177
1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
CID 86601794
tert-butyl-[(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamic acid
CID 68786976
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-[[2-[4-(dimethylamino)-4-phenylcyclohexyl]acetyl]amino]-4-(1H-indol-3-yl)butanoic acid
CID 90969466
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670
1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-1-sulfanylurea
CID 87738701
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 68632050
2-[4-(dimethylamino)-4-phenylcyclohexylidene]-6-(1H-indol-3-yl)hexanamide
CID 69335635
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-N-[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-enamide
CID 68920540
2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
CID 163609227

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine (CID 71221333) is 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine is Cc1csc(C(Cc2c[nH]c3ccccc23)NC2CCC(c3ccccc3)(N(C)C)CC2)n1.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
The InChIKey is GHBCTIZUDTUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4S/c1-20-19-33-27(30-20)26(17-21-18-29-25-12-8-7-11-24(21)25)31-23-13-15-28(16-14-23,32(2)3)22-9-5-4-6-10-22/h4-12,18-19,23,26,29,31H,13-17H2,1-3H3.
What are the key properties of 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine?
4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine has a molecular weight of 458.68 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine is sourced from PubChem (CID 71221333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).