4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid

C14H10N2O2S — CID 174669002

IUPAC4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c3ccccc23)ns1
InChIInChI=1S/C14H10N2O2S/c1-8-15-13(16-19-8)11-6-7-12(14(17)18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,17,18)
InChIKeyLVOWEHVLDZOIHJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds2

About 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid

4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid (PubChem CID 174669002) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid
PubChem CID174669002
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c3ccccc23)ns1
InChIInChI=1S/C14H10N2O2S/c1-8-15-13(16-19-8)11-6-7-12(14(17)18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,17,18)
InChIKeyLVOWEHVLDZOIHJ-UHFFFAOYSA-N
XLogP3.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid
CID 174668969
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
4-carboxynaphthalen-1-olate
CID 54707408
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carboxylic acid
CID 131985808
4-(5-acetyl-3,6-diaminopyrazin-2-yl)naphthalene-1-carboxylic acid
CID 118591949
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2,7-dimethyl-1,3-benzothiazole-4-carboxylic acid
CID 84675176

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid (CID 174669002) is 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)c3ccccc23)ns1.
What is the InChIKey of 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid?
The InChIKey is LVOWEHVLDZOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-8-15-13(16-19-8)11-6-7-12(14(17)18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid?
4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 174669002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).