1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea

C16H17N3OS — CID 85063930

IUPAC1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
SMILESCc1ccc(NC(=S)NN=Cc2cccc(O)c2)c(C)c1
InChIInChI=1S/C16H17N3OS/c1-11-6-7-15(12(2)8-11)18-16(21)19-17-10-13-4-3-5-14(20)9-13/h3-10,20H,1-2H3,(H2,18,19,21)
InChIKeyACLJNVYBNAMGPW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.33
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea

1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 85063930) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
PubChem CID85063930
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
SMILESCc1ccc(NC(=S)NN=Cc2cccc(O)c2)c(C)c1
InChIInChI=1S/C16H17N3OS/c1-11-6-7-15(12(2)8-11)18-16(21)19-17-10-13-4-3-5-14(20)9-13/h3-10,20H,1-2H3,(H2,18,19,21)
InChIKeyACLJNVYBNAMGPW-UHFFFAOYSA-N
XLogP3.33
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
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-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 4018614
1-(2,4-dimethylphenyl)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 135715701
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
CID 2424034
1-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 18226944
1-(anthracen-9-ylmethylideneamino)-3-(2,4-dimethylphenyl)thiourea
CID 4561308
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067
1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
CID 7930509
1-(2-methylphenyl)-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 6904284
1-(2-methoxy-5-methylphenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea
CID 5218623
1-(2,4-dimethylphenyl)-3-[(Z)-[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 6003429
1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
CID 7933456

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea (CID 85063930) is 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea is Cc1ccc(NC(=S)NN=Cc2cccc(O)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is ACLJNVYBNAMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-6-7-15(12(2)8-11)18-16(21)19-17-10-13-4-3-5-14(20)9-13/h3-10,20H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea?
1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 299.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 85063930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).