[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea

C13H18N4S — CID 19040763

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
SMILESCN(C)CCc1c[nH]c2ccc(NC(N)=S)cc12
InChIInChI=1S/C13H18N4S/c1-17(2)6-5-9-8-15-12-4-3-10(7-11(9)12)16-13(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H3,14,16,18)
InChIKeyAHVCDINGNINIJM-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.93
Rot. Bonds4

About [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea (PubChem CID 19040763) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
PubChem CID19040763
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
SMILESCN(C)CCc1c[nH]c2ccc(NC(N)=S)cc12
InChIInChI=1S/C13H18N4S/c1-17(2)6-5-9-8-15-12-4-3-10(7-11(9)12)16-13(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H3,14,16,18)
InChIKeyAHVCDINGNINIJM-UHFFFAOYSA-N
XLogP1.93
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.93
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

[3-(cyanomethyl)-1H-indol-5-yl]thiourea
CID 12803108
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 14391162
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
(3-methylsulfanyl-1H-indol-5-yl)thiourea
CID 169359074
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775
butanedioic acid;bis(3-[2-(dimethylamino)ethyl]-N-(4-pyridin-4-ylphenyl)-1H-indole-5-carboxamide)
CID 44523496
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea (CID 19040763) is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea is CN(C)CCc1c[nH]c2ccc(NC(N)=S)cc12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea?
The InChIKey is AHVCDINGNINIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17(2)6-5-9-8-15-12-4-3-10(7-11(9)12)16-13(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H3,14,16,18).
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea?
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea has a molecular weight of 262.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea is sourced from PubChem (CID 19040763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).