(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea

C22H21N3O2S — CID 24884682

IUPAC(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea
SMILESCOc1ccccc1N/C(=N\C(=S)Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C22H21N3O2S/c1-26-19-14-8-6-12-17(19)21(24-18-13-7-9-15-20(18)27-2)25-22(28)23-16-10-4-3-5-11-16/h3-15H,1-2H3,(H2,23,24,25,28)
InChIKeyRIAXADSBYNOCKD-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.96
Rot. Bonds5

About (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea

(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea (PubChem CID 24884682) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea.

Molecular Properties

Compound Name(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea
PubChem CID24884682
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea
SMILESCOc1ccccc1N/C(=N\C(=S)Nc1ccccc1)c1ccccc1OC
InChIInChI=1S/C22H21N3O2S/c1-26-19-14-8-6-12-17(19)21(24-18-13-7-9-15-20(18)27-2)25-22(28)23-16-10-4-3-5-11-16/h3-15H,1-2H3,(H2,23,24,25,28)
InChIKeyRIAXADSBYNOCKD-UHFFFAOYSA-N
XLogP4.96
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
1-(2-methoxyphenyl)-3-(4-methyliminopent-1-en-3-ylidene)thiourea
CID 123398069
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809
2-methoxy-N-phenylaniline
CID 10910514
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
1-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2796729
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea?
The IUPAC name of (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea (CID 24884682) is (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea.
What is the SMILES notation for (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea?
The canonical SMILES for (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea is COc1ccccc1N/C(=N\C(=S)Nc1ccccc1)c1ccccc1OC.
What is the InChIKey of (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea?
The InChIKey is RIAXADSBYNOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-26-19-14-8-6-12-17(19)21(24-18-13-7-9-15-20(18)27-2)25-22(28)23-16-10-4-3-5-11-16/h3-15H,1-2H3,(H2,23,24,25,28).
What are the key properties of (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea?
(1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea has a molecular weight of 391.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2-methoxyanilino)-(2-methoxyphenyl)methylidene]-3-phenylthiourea is sourced from PubChem (CID 24884682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).