1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea

C21H19N3S — CID 71496267

IUPAC1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
SMILESNc1ccc(NC(=S)Nc2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3S/c22-18-10-14-20(15-11-18)24-21(25)23-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-15H,22H2,(H2,23,24,25)/b7-6+
InChIKeyLAEBLTHMRACOEJ-VOTSOKGWSA-N
MW345.47 g/mol
LogP5.25
Rot. Bonds4

About 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea

1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea (PubChem CID 71496267) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
PubChem CID71496267
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
SMILESNc1ccc(NC(=S)Nc2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3S/c22-18-10-14-20(15-11-18)24-21(25)23-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-15H,22H2,(H2,23,24,25)/b7-6+
InChIKeyLAEBLTHMRACOEJ-VOTSOKGWSA-N
XLogP5.25
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
4-(2-phenylethenyl)aniline
CID 13265
(E)-3-[4-(phenylcarbamothioylamino)phenyl]prop-2-enoic acid
CID 91687037
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
1-(4-aminophenyl)-3-(2-nitrophenyl)thiourea
CID 87226985
1-(4-aminophenyl)-3-propan-2-ylthiourea
CID 127512873
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160
3-bromo-4-methyl-N-[[4-[(E)-2-phenylethenyl]phenyl]carbamothioyl]benzamide
CID 6232744
N-[(4-iodophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 1380280
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 2887824

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea?
The IUPAC name of 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea (CID 71496267) is 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea?
The canonical SMILES for 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea is Nc1ccc(NC(=S)Nc2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea?
The InChIKey is LAEBLTHMRACOEJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H19N3S/c22-18-10-14-20(15-11-18)24-21(25)23-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-15H,22H2,(H2,23,24,25)/b7-6+.
What are the key properties of 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea?
1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea has a molecular weight of 345.47 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea is sourced from PubChem (CID 71496267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).