4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol

C15H12N4O2S — CID 45124176

IUPAC4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(N/N=C/c3cccnc3)n2)c(O)c1
InChIInChI=1S/C15H12N4O2S/c20-11-3-4-12(14(21)6-11)13-9-22-15(18-13)19-17-8-10-2-1-5-16-7-10/h1-9,20-21H,(H,18,19)/b17-8+
InChIKeyUNIIXYJOCOUGNB-CAOOACKPSA-N
MW312.35 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 45124176) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID45124176
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(N/N=C/c3cccnc3)n2)c(O)c1
InChIInChI=1S/C15H12N4O2S/c20-11-3-4-12(14(21)6-11)13-9-22-15(18-13)19-17-8-10-2-1-5-16-7-10/h1-9,20-21H,(H,18,19)/b17-8+
InChIKeyUNIIXYJOCOUGNB-CAOOACKPSA-N
XLogP3.06
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 45124174
4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867543
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol (CID 45124176) is 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol is Oc1ccc(-c2csc(N/N=C/c3cccnc3)n2)c(O)c1.
What is the InChIKey of 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is UNIIXYJOCOUGNB-CAOOACKPSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-11-3-4-12(14(21)6-11)13-9-22-15(18-13)19-17-8-10-2-1-5-16-7-10/h1-9,20-21H,(H,18,19)/b17-8+.
What are the key properties of 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 312.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 45124176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).