1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea

C22H21N3OS — CID 4083793

IUPAC1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)NN=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3OS/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)24-25-22(27)23-20-10-6-7-11-21(20)26-2/h3-15H,1-2H3,(H2,23,25,27)
InChIKeyMKITUCBYXJLVNT-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.07
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea

1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea (PubChem CID 4083793) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
PubChem CID4083793
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)NN=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3OS/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)24-25-22(27)23-20-10-6-7-11-21(20)26-2/h3-15H,1-2H3,(H2,23,25,27)
InChIKeyMKITUCBYXJLVNT-UHFFFAOYSA-N
XLogP5.07
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3441173
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 7933948
1-(3-methoxyphenyl)-3-[(E)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 22829855
1-(2,3-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3919934
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
1-(fluoren-9-ylideneamino)-3-(2-methoxyphenyl)thiourea
CID 3503916
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
1-(2,4-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3666983
1-(cyclododecylideneamino)-3-(2-methoxyphenyl)thiourea
CID 4134522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea (CID 4083793) is 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea is COc1ccccc1NC(=S)NN=C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea?
The InChIKey is MKITUCBYXJLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-16(17-12-14-19(15-13-17)18-8-4-3-5-9-18)24-25-22(27)23-20-10-6-7-11-21(20)26-2/h3-15H,1-2H3,(H2,23,25,27).
What are the key properties of 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea?
1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea has a molecular weight of 375.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 4083793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).