1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea

C17H19N3O2S — CID 123792711

IUPAC1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1c(C)cccc1OC
InChIInChI=1S/C17H19N3O2S/c1-12-7-6-10-15(22-3)16(12)19-17(23)20-18-11-13-8-4-5-9-14(13)21-2/h4-11H,1-3H3,(H2,19,20,23)
InChIKeyKUKUEBBCXOBRFO-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea

1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (PubChem CID 123792711) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
PubChem CID123792711
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1c(C)cccc1OC
InChIInChI=1S/C17H19N3O2S/c1-12-7-6-10-15(22-3)16(12)19-17(23)20-18-11-13-8-4-5-9-14(13)21-2/h4-11H,1-3H3,(H2,19,20,23)
InChIKeyKUKUEBBCXOBRFO-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.33
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-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135745561
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
1-(4-fluoro-3-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123526683
1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
CID 88916841
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 75596667
1-(2-ethynylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123144598
1-(6-methoxy-4-methyl-3-pyridinyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123753156
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (CID 123792711) is 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is COc1ccccc1C=NNC(=S)Nc1c(C)cccc1OC.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is KUKUEBBCXOBRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-7-6-10-15(22-3)16(12)19-17(23)20-18-11-13-8-4-5-9-14(13)21-2/h4-11H,1-3H3,(H2,19,20,23).
What are the key properties of 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 329.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 123792711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).