1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea

C15H22N4S — CID 8669325

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCN(C)CCNC(=S)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N4S/c1-19(2)10-9-17-15(20)16-8-7-12-11-18-14-6-4-3-5-13(12)14/h3-6,11,18H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyVRYSENVZOVTEPB-UHFFFAOYSA-N
MW290.44 g/mol
LogP1.74
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea

1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea (PubChem CID 8669325) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
PubChem CID8669325
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCN(C)CCNC(=S)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N4S/c1-19(2)10-9-17-15(20)16-8-7-12-11-18-14-6-4-3-5-13(12)14/h3-6,11,18H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyVRYSENVZOVTEPB-UHFFFAOYSA-N
XLogP1.74
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 7962474
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
1-(3-chloro-2-methylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 702579
N-[2-(1H-indol-3-yl)ethyl]but-3-enethioamide
CID 3005127
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 167844425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea (CID 8669325) is 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea is CN(C)CCNC(=S)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The InChIKey is VRYSENVZOVTEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-19(2)10-9-17-15(20)16-8-7-12-11-18-14-6-4-3-5-13(12)14/h3-6,11,18H,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea?
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea has a molecular weight of 290.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 8669325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).