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

C16H17N3O2S — CID 6182583

IUPAC[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
SMILESCOc1cccc(COc2ccccc2/C=N\NC(N)=S)c1
InChIInChI=1S/C16H17N3O2S/c1-20-14-7-4-5-12(9-14)11-21-15-8-3-2-6-13(15)10-18-19-16(17)22/h2-10H,11H2,1H3,(H3,17,19,22)/b18-10-
InChIKeyJWURTEPZIAKTNS-ZDLGFXPLSA-N
MW315.40 g/mol
LogP2.44
Rot. Bonds6

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

[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea (PubChem CID 6182583) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
PubChem CID6182583
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
SMILESCOc1cccc(COc2ccccc2/C=N\NC(N)=S)c1
InChIInChI=1S/C16H17N3O2S/c1-20-14-7-4-5-12(9-14)11-21-15-8-3-2-6-13(15)10-18-19-16(17)22/h2-10H,11H2,1H3,(H3,17,19,22)/b18-10-
InChIKeyJWURTEPZIAKTNS-ZDLGFXPLSA-N
XLogP2.44
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
[(E)-[2-[[2,4,5-tris[[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139236029
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215
N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5497349
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
[[2-(3-methoxyphenyl)phenyl]methylideneamino]thiourea
CID 168534774
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 71670011
[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 4669468
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 51061218

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea (CID 6182583) is [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea is COc1cccc(COc2ccccc2/C=N\NC(N)=S)c1.
What is the InChIKey of [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea?
The InChIKey is JWURTEPZIAKTNS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-20-14-7-4-5-12(9-14)11-21-15-8-3-2-6-13(15)10-18-19-16(17)22/h2-10H,11H2,1H3,(H3,17,19,22)/b18-10-.
What are the key properties of [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea?
[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea has a molecular weight of 315.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 6182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).