1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea

C19H17N3OS — CID 57398965

IUPAC1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-23-18-12-5-4-11-17(18)21-19(24)22-20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H2,21,22,24)/b20-13+
InChIKeyOKTKENOBDLVYPR-DEDYPNTBSA-N
MW335.43 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea

1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea (PubChem CID 57398965) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
PubChem CID57398965
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
SMILESCOc1ccccc1NC(=S)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-23-18-12-5-4-11-17(18)21-19(24)22-20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H2,21,22,24)/b20-13+
InChIKeyOKTKENOBDLVYPR-DEDYPNTBSA-N
XLogP4.17
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.17
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-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
1-[(E)-1H-indol-3-ylmethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135683948
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1-[(2,6-difluorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3942663
2,3-dimethoxy-6-[(Z)-[(2-methoxyphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
CID 8978898
1-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenylthiourea
CID 5417284
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 75596667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea (CID 57398965) is 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea is COc1ccccc1NC(=S)N/N=C/c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea?
The InChIKey is OKTKENOBDLVYPR-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-23-18-12-5-4-11-17(18)21-19(24)22-20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-13H,1H3,(H2,21,22,24)/b20-13+.
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea?
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea has a molecular weight of 335.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea is sourced from PubChem (CID 57398965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).