1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea

C16H17N3O2S — CID 2404947

IUPAC1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1OC
InChIInChI=1S/C16H17N3O2S/c1-20-14-9-5-3-7-12(14)11-17-19-16(22)18-13-8-4-6-10-15(13)21-2/h3-11H,1-2H3,(H2,18,19,22)
InChIKeyNREXPRJLYQVTJG-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.02
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea

1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (PubChem CID 2404947) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
PubChem CID2404947
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1OC
InChIInChI=1S/C16H17N3O2S/c1-20-14-9-5-3-7-12(14)11-17-19-16(22)18-13-8-4-6-10-15(13)21-2/h3-11H,1-2H3,(H2,18,19,22)
InChIKeyNREXPRJLYQVTJG-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.02
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

1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 75596667
1-(2-ethynylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123144598
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
1-[(E)-1H-indol-3-ylmethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135683948
1-[(2,6-difluorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3942663
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
CID 88916841
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (CID 2404947) is 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is COc1ccccc1C=NNC(=S)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is NREXPRJLYQVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-20-14-9-5-3-7-12(14)11-17-19-16(22)18-13-8-4-6-10-15(13)21-2/h3-11H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 315.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 2404947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).