N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide

C14H12N4O2S — CID 8811401

IUPACN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C14H12N4O2S/c1-9-8-21-14(17-9)11(6-15)7-16-18-13(20)10-2-4-12(19)5-3-10/h2-5,7-8,16,19H,1H3,(H,18,20)/b11-7+
InChIKeySLYHUUFQEPJOME-YRNVUSSQSA-N
MW300.34 g/mol
LogP1.96
Rot. Bonds4

About N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide

N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide (PubChem CID 8811401) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide
PubChem CID8811401
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C14H12N4O2S/c1-9-8-21-14(17-9)11(6-15)7-16-18-13(20)10-2-4-12(19)5-3-10/h2-5,7-8,16,19H,1H3,(H,18,20)/b11-7+
InChIKeySLYHUUFQEPJOME-YRNVUSSQSA-N
XLogP1.96
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide
CID 8811780
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 8811592
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 8812427
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide
CID 8812404
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 8811876
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8811709
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
(E)-3-[2-(2,4-difluorophenyl)hydrazinyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811175
(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(pyridin-4-ylamino)prop-2-enenitrile
CID 8821609
(E)-3-[(6-methyl-2-pyridinyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811344
(5S)-5-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 8812227
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 8812406

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide?
The IUPAC name of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide (CID 8811401) is N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide.
What is the SMILES notation for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide?
The canonical SMILES for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide is Cc1csc(/C(C#N)=C/NNC(=O)c2ccc(O)cc2)n1.
What is the InChIKey of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide?
The InChIKey is SLYHUUFQEPJOME-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-8-21-14(17-9)11(6-15)7-16-18-13(20)10-2-4-12(19)5-3-10/h2-5,7-8,16,19H,1H3,(H,18,20)/b11-7+.
What are the key properties of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide?
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide has a molecular weight of 300.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide is sourced from PubChem (CID 8811401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).