2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid

C11H9N3O2S — CID 42336554

IUPAC2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\Nc1nccs1
InChIInChI=1S/C11H9N3O2S/c15-10(16)9-4-2-1-3-8(9)7-13-14-11-12-5-6-17-11/h1-7H,(H,12,14)(H,15,16)/b13-7-
InChIKeyAJVSZNKYSOBGGS-QPEQYQDCSA-N
MW247.28 g/mol
LogP2.29
Rot. Bonds4

About 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid

2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid (PubChem CID 42336554) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
PubChem CID42336554
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N\Nc1nccs1
InChIInChI=1S/C11H9N3O2S/c15-10(16)9-4-2-1-3-8(9)7-13-14-11-12-5-6-17-11/h1-7H,(H,12,14)(H,15,16)/b13-7-
InChIKeyAJVSZNKYSOBGGS-QPEQYQDCSA-N
XLogP2.29
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(e)-2-((2-(4-Phenylthiazol-2-yl)hydrazono)methyl)benzoic acid
CID 39168487
(E)-4-((2-(thiazol-2-yl)hydrazono)methyl)benzoic acid
CID 9582722
4-[(4-Methyl-thiazol-2-ylhydrazono)-methyl]-benzoic acid
CID 9582723
2-[(2-imino-3H-thiazol-5-yl)sulfanyl]benzoic acid
CID 391253
2-Fluoro-4-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168618047
2-Fluoro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168619625
3-Fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168619626
2-[[[4-(2-Ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-fluorobenzoic acid
CID 168625408
2-[[[4-(2-Ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-3-fluorobenzoic acid
CID 168625409
4-[2-[[(4-Amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]-2-fluorobenzoic acid
CID 168626774
4-[4-[[(4-Amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]-2-fluorobenzoic acid
CID 168626775
4-[4-[[(4-Amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]-3-fluorobenzoic acid
CID 168626776

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid (CID 42336554) is 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccccc1/C=N\Nc1nccs1.
What is the InChIKey of 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid?
The InChIKey is AJVSZNKYSOBGGS-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-10(16)9-4-2-1-3-8(9)7-13-14-11-12-5-6-17-11/h1-7H,(H,12,14)(H,15,16)/b13-7-.
What are the key properties of 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid?
2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid has a molecular weight of 247.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 42336554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).