1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea

C19H21N3S — CID 7962474

IUPAC1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCCc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3S/c1-2-14-7-9-16(10-8-14)22-19(23)20-12-11-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H2,20,22,23)
InChIKeyCFSHLPCWZZRPSQ-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea

1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (PubChem CID 7962474) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
PubChem CID7962474
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
SMILESCCc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3S/c1-2-14-7-9-16(10-8-14)22-19(23)20-12-11-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H2,20,22,23)
InChIKeyCFSHLPCWZZRPSQ-UHFFFAOYSA-N
XLogP4.26
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511092
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111806445
1-(3-chloro-2-methylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 702579
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea (CID 7962474) is 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is CCc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
The InChIKey is CFSHLPCWZZRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-2-14-7-9-16(10-8-14)22-19(23)20-12-11-15-13-21-18-6-4-3-5-17(15)18/h3-10,13,21H,2,11-12H2,1H3,(H2,20,22,23).
What are the key properties of 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea?
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea has a molecular weight of 323.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 7962474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).