1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea

C20H24N8O2S2 — CID 135527146

IUPAC1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
SMILESOc1ccccc1/C=N\NC(=S)NN1CCN(NC(=S)N/N=C\c2ccccc2O)CC1
InChIInChI=1S/C20H24N8O2S2/c29-17-7-3-1-5-15(17)13-21-23-19(31)25-27-9-11-28(12-10-27)26-20(32)24-22-14-16-6-2-4-8-18(16)30/h1-8,13-14,29-30H,9-12H2,(H2,23,25,31)(H2,24,26,32)/b21-13-,22-14-
InChIKeyGQDKWLJNCQALOS-JZTLMNBPSA-N
MW472.60 g/mol
LogP0.84
Rot. Bonds6

About 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea

1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea (PubChem CID 135527146) has the molecular formula C20H24N8O2S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea.

Molecular Properties

Compound Name1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
PubChem CID135527146
Molecular FormulaC20H24N8O2S2
Molecular Weight472.60 g/mol
Exact Mass472.15
IUPAC Name1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
SMILESOc1ccccc1/C=N\NC(=S)NN1CCN(NC(=S)N/N=C\c2ccccc2O)CC1
InChIInChI=1S/C20H24N8O2S2/c29-17-7-3-1-5-15(17)13-21-23-19(31)25-27-9-11-28(12-10-27)26-20(32)24-22-14-16-6-2-4-8-18(16)30/h1-8,13-14,29-30H,9-12H2,(H2,23,25,31)(H2,24,26,32)/b21-13-,22-14-
InChIKeyGQDKWLJNCQALOS-JZTLMNBPSA-N
XLogP0.84
TPSA119.78 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 50.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

Analyze 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)thiourea
CID 170856482
1-(1-adamantyl)-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136716051
1,1-dichloro-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137178247
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135908372
1-(2,4-dichlorophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135650606
1-hexadecyl-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136759286
1-[(2-hydroxyphenyl)methylideneamino]-3-octadecylthiourea
CID 3419652
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
1-(furan-2-ylmethyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135643822

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea?
The IUPAC name of 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea (CID 135527146) is 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea.
What is the SMILES notation for 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea?
The canonical SMILES for 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea is Oc1ccccc1/C=N\NC(=S)NN1CCN(NC(=S)N/N=C\c2ccccc2O)CC1.
What is the InChIKey of 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea?
The InChIKey is GQDKWLJNCQALOS-JZTLMNBPSA-N. The full InChI is InChI=1S/C20H24N8O2S2/c29-17-7-3-1-5-15(17)13-21-23-19(31)25-27-9-11-28(12-10-27)26-20(32)24-22-14-16-6-2-4-8-18(16)30/h1-8,13-14,29-30H,9-12H2,(H2,23,25,31)(H2,24,26,32)/b21-13-,22-14-.
What are the key properties of 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea?
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea has a molecular weight of 472.60 g/mol, XLogP of 0.84, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea is sourced from PubChem (CID 135527146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).