1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea

C24H32N4OS — CID 3608698

IUPAC1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea
SMILESCCN(CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(OC)c1
InChIInChI=1S/C24H32N4OS/c1-4-27(5-2)14-9-15-28(18-19-17-25-23-13-7-6-12-22(19)23)24(30)26-20-10-8-11-21(16-20)29-3/h6-8,10-13,16-17,25H,4-5,9,14-15,18H2,1-3H3,(H,26,30)
InChIKeyZAXFLAZEHAPZPW-UHFFFAOYSA-N
MW424.61 g/mol
LogP5.11
Rot. Bonds10

About 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea

1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 3608698) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea
PubChem CID3608698
Molecular FormulaC24H32N4OS
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Name1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea
SMILESCCN(CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(OC)c1
InChIInChI=1S/C24H32N4OS/c1-4-27(5-2)14-9-15-28(18-19-17-25-23-13-7-6-12-22(19)23)24(30)26-20-10-8-11-21(16-20)29-3/h6-8,10-13,16-17,25H,4-5,9,14-15,18H2,1-3H3,(H,26,30)
InChIKeyZAXFLAZEHAPZPW-UHFFFAOYSA-N
XLogP5.11
TPSA43.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[3-[1H-indol-3-ylmethyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl]azanium
CID 5049329
3-[(3-chlorophenyl)carbamothioyl-(1H-indol-3-ylmethyl)amino]propyl-diethylazanium
CID 3608911
1,1-bis[3-(dimethylamino)propyl]-3-(3-methoxyphenyl)thiourea
CID 8615750
1-(1H-indol-3-ylmethyl)-3-(4-methoxyphenyl)-1-propan-2-ylthiourea
CID 53206704
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
3-(3-chloro-4-methoxyphenyl)-1-[3-(diethylamino)propyl]-1-[(1-ethylindol-3-yl)methyl]thiourea
CID 53204645
1-[2-(diethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 3174125
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea
CID 3647225
1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)thiourea
CID 4570004
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-(3-methoxyphenyl)thiourea
CID 3224022

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea (CID 3608698) is 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea is CCN(CC)CCCN(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(OC)c1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is ZAXFLAZEHAPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS/c1-4-27(5-2)14-9-15-28(18-19-17-25-23-13-7-6-12-22(19)23)24(30)26-20-10-8-11-21(16-20)29-3/h6-8,10-13,16-17,25H,4-5,9,14-15,18H2,1-3H3,(H,26,30).
What are the key properties of 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea?
1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 424.61 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-1-(1H-indol-3-ylmethyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 3608698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).