1-ethyl-3-(N-phenylanilino)thiourea

C15H17N3S — CID 2373994

IUPAC1-ethyl-3-(N-phenylanilino)thiourea
SMILESCCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3S/c1-2-16-15(19)17-18(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,16,17,19)
InChIKeyMPMOOLOUIJVQBE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.22
Rot. Bonds4

About 1-ethyl-3-(N-phenylanilino)thiourea

1-ethyl-3-(N-phenylanilino)thiourea (PubChem CID 2373994) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-3-(N-phenylanilino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(N-phenylanilino)thiourea
PubChem CID2373994
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-ethyl-3-(N-phenylanilino)thiourea
SMILESCCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N3S/c1-2-16-15(19)17-18(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,16,17,19)
InChIKeyMPMOOLOUIJVQBE-UHFFFAOYSA-N
XLogP3.22
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N1-ethyl-2-phenylhydrazine-1-carbothioamide
CID 2731067
3-Butyl-1-phenylthiourea
CID 3034183
1-Cyclohexyl-3-phenyl-2-thiourea
CID 766306
N,2-Diphenylhydrazinecarbothioamide
CID 775364
2-Phenyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
CID 749973
1,1-Dimethyl-4-phenylthiosemicarbazide
CID 3034493
4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
CID 674716
1-Hexyl-3-phenyl-2-thiourea
CID 2759282
1-Phenyl-3-[(phenylcarbamothioyl)amino]thiourea
CID 695255
1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
CID 2388700
5-Hexyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione
CID 3104627
1-cyclohexyl-3-(N-phenylanilino)thiourea
CID 2422741

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(N-phenylanilino)thiourea?
The IUPAC name of 1-ethyl-3-(N-phenylanilino)thiourea (CID 2373994) is 1-ethyl-3-(N-phenylanilino)thiourea.
What is the SMILES notation for 1-ethyl-3-(N-phenylanilino)thiourea?
The canonical SMILES for 1-ethyl-3-(N-phenylanilino)thiourea is CCNC(=S)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(N-phenylanilino)thiourea?
The InChIKey is MPMOOLOUIJVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-16-15(19)17-18(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-ethyl-3-(N-phenylanilino)thiourea?
1-ethyl-3-(N-phenylanilino)thiourea has a molecular weight of 271.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(N-phenylanilino)thiourea is sourced from PubChem (CID 2373994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).