1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea

C26H34N4S — CID 86601794

IUPAC1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
SMILESCC(Cc1c[nH]c2ccccc12)NC(=S)NC1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C26H34N4S/c1-19(17-20-18-27-24-12-8-7-11-23(20)24)28-25(31)29-22-13-15-26(16-14-22,30(2)3)21-9-5-4-6-10-21/h4-12,18-19,22,27H,13-17H2,1-3H3,(H2,28,29,31)
InChIKeyVRVXSQSGJRXXGA-UHFFFAOYSA-N
MW434.65 g/mol
LogP4.96
Rot. Bonds6

About 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea

1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea (PubChem CID 86601794) has the molecular formula C26H34N4S and a molecular weight of 434.65 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
PubChem CID86601794
Molecular FormulaC26H34N4S
Molecular Weight434.65 g/mol
Exact Mass434.25
IUPAC Name1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
SMILESCC(Cc1c[nH]c2ccccc12)NC(=S)NC1CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C26H34N4S/c1-19(17-20-18-27-24-12-8-7-11-23(20)24)28-25(31)29-22-13-15-26(16-14-22,30(2)3)21-9-5-4-6-10-21/h4-12,18-19,22,27H,13-17H2,1-3H3,(H2,28,29,31)
InChIKeyVRVXSQSGJRXXGA-UHFFFAOYSA-N
XLogP4.96
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea 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
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
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
2-[[2-[4-(dimethylamino)-4-phenylcyclohexyl]acetyl]amino]-4-(1H-indol-3-yl)butanoic acid
CID 90969466
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexylidene]-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide;hydrochloride
CID 11712508
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
1-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-1-sulfanylurea
CID 87738701
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea?
The IUPAC name of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea (CID 86601794) is 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea.
What is the SMILES notation for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea?
The canonical SMILES for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea is CC(Cc1c[nH]c2ccccc12)NC(=S)NC1CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea?
The InChIKey is VRVXSQSGJRXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4S/c1-19(17-20-18-27-24-12-8-7-11-23(20)24)28-25(31)29-22-13-15-26(16-14-22,30(2)3)21-9-5-4-6-10-21/h4-12,18-19,22,27H,13-17H2,1-3H3,(H2,28,29,31).
What are the key properties of 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea?
1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea has a molecular weight of 434.65 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea is sourced from PubChem (CID 86601794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).