[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea

C16H15Cl2N3O2S — CID 168534891

IUPAC[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
SMILESCOc1cccc(C=NNC(N)=S)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2S/c1-22-14-4-2-3-11(8-20-21-16(19)24)15(14)23-9-10-5-6-12(17)13(18)7-10/h2-8H,9H2,1H3,(H3,19,21,24)
InChIKeyVGQGLAWZICDGQQ-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.75
Rot. Bonds6

About [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea

[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea (PubChem CID 168534891) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
PubChem CID168534891
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
SMILESCOc1cccc(C=NNC(N)=S)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2S/c1-22-14-4-2-3-11(8-20-21-16(19)24)15(14)23-9-10-5-6-12(17)13(18)7-10/h2-8H,9H2,1H3,(H3,19,21,24)
InChIKeyVGQGLAWZICDGQQ-UHFFFAOYSA-N
XLogP3.75
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.75
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'}

Analyze [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea with MolForge

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Related Compounds

[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
4-[[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193703
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetate
CID 71669999
N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040006
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789
[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334

Frequently Asked Questions

What is the IUPAC name of [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea?
The IUPAC name of [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea (CID 168534891) is [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea.
What is the SMILES notation for [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea?
The canonical SMILES for [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea is COc1cccc(C=NNC(N)=S)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea?
The InChIKey is VGQGLAWZICDGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-22-14-4-2-3-11(8-20-21-16(19)24)15(14)23-9-10-5-6-12(17)13(18)7-10/h2-8H,9H2,1H3,(H3,19,21,24).
What are the key properties of [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea?
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea has a molecular weight of 384.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea is sourced from PubChem (CID 168534891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).