1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea

C18H15N3O2S — CID 135925163

IUPAC1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea
SMILESOc1ccc(C=NNC(=S)Nc2cccc3ccccc23)c(O)c1
InChIInChI=1S/C18H15N3O2S/c22-14-9-8-13(17(23)10-14)11-19-21-18(24)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22-23H,(H2,20,21,24)
InChIKeyDBGIPLVUWNOTCU-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea

1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea (PubChem CID 135925163) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea
PubChem CID135925163
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea
SMILESOc1ccc(C=NNC(=S)Nc2cccc3ccccc23)c(O)c1
InChIInChI=1S/C18H15N3O2S/c22-14-9-8-13(17(23)10-14)11-19-21-18(24)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22-23H,(H2,20,21,24)
InChIKeyDBGIPLVUWNOTCU-UHFFFAOYSA-N
XLogP3.57
TPSA76.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea (CID 135925163) is 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea is Oc1ccc(C=NNC(=S)Nc2cccc3ccccc23)c(O)c1.
What is the InChIKey of 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea?
The InChIKey is DBGIPLVUWNOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-14-9-8-13(17(23)10-14)11-19-21-18(24)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,22-23H,(H2,20,21,24).
What are the key properties of 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea?
1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea has a molecular weight of 337.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dihydroxyphenyl)methylideneamino]-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 135925163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).