4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid

C15H13N5O2S — CID 144700018

IUPAC4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid
SMILESNNc1ncc(SNc2ccc(C(=O)O)cc2)c2ncccc12
InChIInChI=1S/C15H13N5O2S/c16-19-14-11-2-1-7-17-13(11)12(8-18-14)23-20-10-5-3-9(4-6-10)15(21)22/h1-8,20H,16H2,(H,18,19)(H,21,22)
InChIKeyUTGPKWNGEHPDTL-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.73
Rot. Bonds5

About 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid

4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid (PubChem CID 144700018) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid
PubChem CID144700018
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid
SMILESNNc1ncc(SNc2ccc(C(=O)O)cc2)c2ncccc12
InChIInChI=1S/C15H13N5O2S/c16-19-14-11-2-1-7-17-13(11)12(8-18-14)23-20-10-5-3-9(4-6-10)15(21)22/h1-8,20H,16H2,(H,18,19)(H,21,22)
InChIKeyUTGPKWNGEHPDTL-UHFFFAOYSA-N
XLogP2.73
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(pyridine-4-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 134545155
4-[(2-amino-1,3-benzothiazol-4-yl)sulfanylamino]benzoic acid
CID 144699528
4-hydrazinylbenzoic acid;hydron;chloride
CID 90134098
piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042953
4-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)benzoic acid
CID 110435135
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid
CID 141415010
5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
CID 58213546
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
CID 144700024
CID 144700024
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid?
The IUPAC name of 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid (CID 144700018) is 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid.
What is the SMILES notation for 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid?
The canonical SMILES for 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid is NNc1ncc(SNc2ccc(C(=O)O)cc2)c2ncccc12.
What is the InChIKey of 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid?
The InChIKey is UTGPKWNGEHPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c16-19-14-11-2-1-7-17-13(11)12(8-18-14)23-20-10-5-3-9(4-6-10)15(21)22/h1-8,20H,16H2,(H,18,19)(H,21,22).
What are the key properties of 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid?
4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid has a molecular weight of 327.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydrazinyl-1,6-naphthyridin-8-yl)sulfanylamino]benzoic acid is sourced from PubChem (CID 144700018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).