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

C15H14ClN3OS — CID 75596656

IUPAC1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-20-14-9-5-2-6-11(14)10-17-19-15(21)18-13-8-4-3-7-12(13)16/h2-10H,1H3,(H2,18,19,21)
InChIKeyJNEQATNUOPHLPK-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.67
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (PubChem CID 75596656) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
PubChem CID75596656
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-20-14-9-5-2-6-11(14)10-17-19-15(21)18-13-8-4-3-7-12(13)16/h2-10H,1H3,(H2,18,19,21)
InChIKeyJNEQATNUOPHLPK-UHFFFAOYSA-N
XLogP3.67
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.67
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-ethynylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123144598
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
CID 75596667
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-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
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
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-(6-methoxy-4-methyl-3-pyridinyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123753156
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea (CID 75596656) is 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is COc1ccccc1C=NNC(=S)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is JNEQATNUOPHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-14-9-5-2-6-11(14)10-17-19-15(21)18-13-8-4-3-7-12(13)16/h2-10H,1H3,(H2,18,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea?
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 319.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 75596656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).