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

C15H14N4O2S — CID 3446799

IUPAC1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1C=NNC(=S)NN=Cc1ccccc1O
InChIInChI=1S/C15H14N4O2S/c20-13-7-3-1-5-11(13)9-16-18-15(22)19-17-10-12-6-2-4-8-14(12)21/h1-10,20-21H,(H2,18,19,22)
InChIKeyIPCADHRTCDSGLW-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.93
Rot. Bonds4

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

1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 3446799) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID3446799
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1C=NNC(=S)NN=Cc1ccccc1O
InChIInChI=1S/C15H14N4O2S/c20-13-7-3-1-5-11(13)9-16-18-15(22)19-17-10-12-6-2-4-8-14(12)21/h1-10,20-21H,(H2,18,19,22)
InChIKeyIPCADHRTCDSGLW-UHFFFAOYSA-N
XLogP1.93
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
CID 135527146
1,1-dichloro-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137178247
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
1,3-bis[(E)-(2-cyanophenyl)methylideneamino]thiourea
CID 131998213
1-(2,4-dichlorophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135650606
1-hexadecyl-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136759286
1-(1-adamantyl)-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136716051
1-[(2-hydroxyphenyl)methylideneamino]-3-octadecylthiourea
CID 3419652
1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3037709
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea (CID 3446799) is 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea is Oc1ccccc1C=NNC(=S)NN=Cc1ccccc1O.
What is the InChIKey of 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is IPCADHRTCDSGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-13-7-3-1-5-11(13)9-16-18-15(22)19-17-10-12-6-2-4-8-14(12)21/h1-10,20-21H,(H2,18,19,22).
What are the key properties of 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea?
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 314.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 3446799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).