1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea

C20H19N3OS — CID 7346399

IUPAC1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
SMILESCNC(=S)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H19N3OS/c1-21-20(25)23-22-13-18-17-10-6-5-9-16(17)11-12-19(18)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,23,25)/b22-13+
InChIKeyNAHCNWWJEDJWDG-LPYMAVHISA-N
MW349.46 g/mol
LogP3.85
Rot. Bonds5

About 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea

1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea (PubChem CID 7346399) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
PubChem CID7346399
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
SMILESCNC(=S)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H19N3OS/c1-21-20(25)23-22-13-18-17-10-6-5-9-16(17)11-12-19(18)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,23,25)/b22-13+
InChIKeyNAHCNWWJEDJWDG-LPYMAVHISA-N
XLogP3.85
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.85
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-benzyl-3-[(E)-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]thiourea
CID 110339323
1-methyl-3-[(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4159494
1-methyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7575217
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-ethylthiourea
CID 3548959
2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 19657881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea?
The IUPAC name of 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea (CID 7346399) is 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea.
What is the SMILES notation for 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea?
The canonical SMILES for 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea is CNC(=S)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea?
The InChIKey is NAHCNWWJEDJWDG-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3OS/c1-21-20(25)23-22-13-18-17-10-6-5-9-16(17)11-12-19(18)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,23,25)/b22-13+.
What are the key properties of 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea?
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea has a molecular weight of 349.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea is sourced from PubChem (CID 7346399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).