1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid

C11H8N4O2S — CID 175473829

IUPAC1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1=CN(c2cnns2)c2ncccc2C1
InChIInChI=1S/C11H8N4O2S/c16-11(17)8-4-7-2-1-3-12-10(7)15(6-8)9-5-13-14-18-9/h1-3,5-6H,4H2,(H,16,17)
InChIKeyRVJRXJIZEQLWPW-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.60
Rot. Bonds2

About 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid

1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175473829) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid
PubChem CID175473829
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1=CN(c2cnns2)c2ncccc2C1
InChIInChI=1S/C11H8N4O2S/c16-11(17)8-4-7-2-1-3-12-10(7)15(6-8)9-5-13-14-18-9/h1-3,5-6H,4H2,(H,16,17)
InChIKeyRVJRXJIZEQLWPW-UHFFFAOYSA-N
XLogP1.60
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4H-1,8-naphthyridine-3-carboxamide
CID 151351767
1-decyl-4H-1,8-naphthyridine-3-carboxamide
CID 175151436
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154512709
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
CID 167721300
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
5,6-dihydroimidazo[1,5-h][1,7]naphthyridine-8-carboxylic acid
CID 96611717
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
CID 91038203
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
CID 154814577

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid (CID 175473829) is 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid is O=C(O)C1=CN(c2cnns2)c2ncccc2C1.
What is the InChIKey of 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RVJRXJIZEQLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-11(17)8-4-7-2-1-3-12-10(7)15(6-8)9-5-13-14-18-9/h1-3,5-6H,4H2,(H,16,17).
What are the key properties of 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid?
1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 260.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)-4H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175473829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).