4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol

C16H12ClN3O2S — CID 137035036

IUPAC4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol
SMILESOc1ccc(/C=N\Nc2ncc(-c3cc(Cl)ccc3O)s2)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-11-3-6-14(22)13(7-11)15-9-18-16(23-15)20-19-8-10-1-4-12(21)5-2-10/h1-9,21-22H,(H,18,20)/b19-8-
InChIKeyJMCJTFVNPVSPAT-UWVJOHFNSA-N
MW345.81 g/mol
LogP4.32
Rot. Bonds4

About 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol

4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol (PubChem CID 137035036) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol
PubChem CID137035036
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol
SMILESOc1ccc(/C=N\Nc2ncc(-c3cc(Cl)ccc3O)s2)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-11-3-6-14(22)13(7-11)15-9-18-16(23-15)20-19-8-10-1-4-12(21)5-2-10/h1-9,21-22H,(H,18,20)/b19-8-
InChIKeyJMCJTFVNPVSPAT-UWVJOHFNSA-N
XLogP4.32
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]-6-chlorochromen-2-one
CID 6074308
N-[(4-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
CID 2746853
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one
CID 3866464
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135608314
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 86765274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol (CID 137035036) is 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol is Oc1ccc(/C=N\Nc2ncc(-c3cc(Cl)ccc3O)s2)cc1.
What is the InChIKey of 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol?
The InChIKey is JMCJTFVNPVSPAT-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-11-3-6-14(22)13(7-11)15-9-18-16(23-15)20-19-8-10-1-4-12(21)5-2-10/h1-9,21-22H,(H,18,20)/b19-8-.
What are the key properties of 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol?
4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol has a molecular weight of 345.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 137035036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).