1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea

C15H16N4OS — CID 88916841

IUPAC1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOc1ccccc1/C=N/NC(=S)Nc1cnccc1C
InChIInChI=1S/C15H16N4OS/c1-11-7-8-16-10-13(11)18-15(21)19-17-9-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H2,18,19,21)/b17-9+
InChIKeyUMNMGWUKBLHCQZ-RQZCQDPDSA-N
MW300.39 g/mol
LogP2.72
Rot. Bonds4

About 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea

1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea (PubChem CID 88916841) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
PubChem CID88916841
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
SMILESCOc1ccccc1/C=N/NC(=S)Nc1cnccc1C
InChIInChI=1S/C15H16N4OS/c1-11-7-8-16-10-13(11)18-15(21)19-17-9-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H2,18,19,21)/b17-9+
InChIKeyUMNMGWUKBLHCQZ-RQZCQDPDSA-N
XLogP2.72
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.72
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-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-(6-methoxy-4-methyl-3-pyridinyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123753156
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 75596667
1-(4-fluoro-3-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123526683
1-(2-ethynylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123144598
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
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
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
1-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(2,5-dimethylphenyl)thiourea
CID 6901845

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea?
The IUPAC name of 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea (CID 88916841) is 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea.
What is the SMILES notation for 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea?
The canonical SMILES for 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea is COc1ccccc1/C=N/NC(=S)Nc1cnccc1C.
What is the InChIKey of 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea?
The InChIKey is UMNMGWUKBLHCQZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11-7-8-16-10-13(11)18-15(21)19-17-9-12-5-3-4-6-14(12)20-2/h3-10H,1-2H3,(H2,18,19,21)/b17-9+.
What are the key properties of 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea?
1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea has a molecular weight of 300.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea is sourced from PubChem (CID 88916841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).