2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid

C18H15N3O2S — CID 7346373

IUPAC2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESCc1sc(N/N=C/c2ccccc2C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O2S/c1-12-16(13-7-3-2-4-8-13)20-18(24-12)21-19-11-14-9-5-6-10-15(14)17(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/b19-11+
InChIKeyJWUAANNBWIHIPL-YBFXNURJSA-N
MW337.40 g/mol
LogP4.26
Rot. Bonds5

About 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid

2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (PubChem CID 7346373) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
PubChem CID7346373
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESCc1sc(N/N=C/c2ccccc2C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O2S/c1-12-16(13-7-3-2-4-8-13)20-18(24-12)21-19-11-14-9-5-6-10-15(14)17(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/b19-11+
InChIKeyJWUAANNBWIHIPL-YBFXNURJSA-N
XLogP4.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (CID 7346373) is 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is Cc1sc(N/N=C/c2ccccc2C(=O)O)nc1-c1ccccc1.
What is the InChIKey of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is JWUAANNBWIHIPL-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-16(13-7-3-2-4-8-13)20-18(24-12)21-19-11-14-9-5-6-10-15(14)17(22)23/h2-11H,1H3,(H,20,21)(H,22,23)/b19-11+.
What are the key properties of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 337.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 7346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).