[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea

C15H15N3OS — CID 168534774

IUPAC[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea
SMILESCOc1cccc(-c2ccccc2C=NNC(N)=S)c1
InChIInChI=1S/C15H15N3OS/c1-19-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-17-18-15(16)20/h2-10H,1H3,(H3,16,18,20)
InChIKeyXPPGBMISVHTTAI-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.53
Rot. Bonds4

About [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea

[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea (PubChem CID 168534774) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea
PubChem CID168534774
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea
SMILESCOc1cccc(-c2ccccc2C=NNC(N)=S)c1
InChIInChI=1S/C15H15N3OS/c1-19-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-17-18-15(16)20/h2-10H,1H3,(H3,16,18,20)
InChIKeyXPPGBMISVHTTAI-UHFFFAOYSA-N
XLogP2.53
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.53
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'}

Analyze [[2-(3-methoxyphenyl)phenyl]methylideneamino]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

[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6182583
[3-(3-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 86633308
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
2-[2-[(carbamothioylhydrazinylidene)methyl]phenyl]benzoic acid
CID 168534939
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
CID 168532329
[3-(2-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 57221575
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
CID 166950258
[(7-methoxy-4-oxochromen-3-yl)methylideneamino]thiourea
CID 936348
[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methylideneamino]thiourea
CID 168536260
2-[3-[(carbamothioylhydrazinylidene)methyl]phenyl]benzoic acid
CID 168536180

Frequently Asked Questions

What is the IUPAC name of [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea?
The IUPAC name of [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea (CID 168534774) is [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea?
The canonical SMILES for [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea is COc1cccc(-c2ccccc2C=NNC(N)=S)c1.
What is the InChIKey of [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea?
The InChIKey is XPPGBMISVHTTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-17-18-15(16)20/h2-10H,1H3,(H3,16,18,20).
What are the key properties of [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea?
[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea has a molecular weight of 285.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 168534774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).