4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol

C19H13ClN4O2S — CID 136919083

IUPAC4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(O)c1
InChIInChI=1S/C19H13ClN4O2S/c20-13-4-1-11(2-5-13)15-9-27-19-17(15)18(21-10-22-19)24-23-8-12-3-6-14(25)7-16(12)26/h1-10,25-26H,(H,21,22,24)/b23-8-
InChIKeyURHCUXLLYJOLFX-NYAPKIOYSA-N
MW396.86 g/mol
LogP4.87
Rot. Bonds4

About 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol

4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 136919083) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID136919083
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC Name4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(O)c1
InChIInChI=1S/C19H13ClN4O2S/c20-13-4-1-11(2-5-13)15-9-27-19-17(15)18(21-10-22-19)24-23-8-12-3-6-14(25)7-16(12)26/h1-10,25-26H,(H,21,22,24)/b23-8-
InChIKeyURHCUXLLYJOLFX-NYAPKIOYSA-N
XLogP4.87
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol 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

4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135651752
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290
2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3640732
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
4-nitro-2-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenolate
CID 7735261
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol (CID 136919083) is 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N\Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(O)c1.
What is the InChIKey of 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is URHCUXLLYJOLFX-NYAPKIOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-13-4-1-11(2-5-13)15-9-27-19-17(15)18(21-10-22-19)24-23-8-12-3-6-14(25)7-16(12)26/h1-10,25-26H,(H,21,22,24)/b23-8-.
What are the key properties of 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 396.86 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 136919083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).