1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea

C19H17N3S — CID 150372121

IUPAC1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea
SMILESNc1ccccc1NC(=S)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N3S/c20-17-11-4-5-12-18(17)22-19(23)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,20H2,(H2,21,22,23)
InChIKeyGXYGDFAHEZMPJH-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea

1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea (PubChem CID 150372121) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea
PubChem CID150372121
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea
SMILESNc1ccccc1NC(=S)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17N3S/c20-17-11-4-5-12-18(17)22-19(23)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,20H2,(H2,21,22,23)
InChIKeyGXYGDFAHEZMPJH-UHFFFAOYSA-N
XLogP4.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
(3-phenylphenyl)carbamic acid
CID 611602
4-[4-amino-3-(3-phenylanilino)phenyl]phenol
CID 88990792
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
1-(3-chloro-4-fluorophenyl)-3-(2-phenylphenyl)thiourea
CID 19711789
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028
2-(3-phenylanilino)benzamide
CID 44596232
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365175
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(2,5-difluorophenyl)-3-phenylthiourea
CID 17263148

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea?
The IUPAC name of 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea (CID 150372121) is 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea.
What is the SMILES notation for 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea?
The canonical SMILES for 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea is Nc1ccccc1NC(=S)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea?
The InChIKey is GXYGDFAHEZMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c20-17-11-4-5-12-18(17)22-19(23)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,20H2,(H2,21,22,23).
What are the key properties of 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea?
1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea has a molecular weight of 319.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(3-phenylphenyl)thiourea is sourced from PubChem (CID 150372121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).