4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid

C10H9N3O2S — CID 7174481

IUPAC4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
SMILESNNc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C10H9N3O2S/c11-13-10-12-8(5-16-10)6-1-3-7(4-2-6)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyZWYGPWLDNISZOS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid

4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 7174481) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
PubChem CID7174481
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
SMILESNNc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C10H9N3O2S/c11-13-10-12-8(5-16-10)6-1-3-7(4-2-6)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyZWYGPWLDNISZOS-UHFFFAOYSA-N
XLogP1.79
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
CID 839872
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid (CID 7174481) is 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid is NNc1nc(-c2ccc(C(=O)O)cc2)cs1.
What is the InChIKey of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is ZWYGPWLDNISZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-13-10-12-8(5-16-10)6-1-3-7(4-2-6)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid?
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 235.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 7174481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).