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

C15H11NO2S — CID 174668969

IUPAC4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c3ccccc23)cs1
InChIInChI=1S/C15H11NO2S/c1-9-16-14(8-19-9)12-6-7-13(15(17)18)11-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18)
InChIKeyZFVKOPFKKAEZFO-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.97
Rot. Bonds2

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

4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid (PubChem CID 174668969) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid
PubChem CID174668969
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c3ccccc23)cs1
InChIInChI=1S/C15H11NO2S/c1-9-16-14(8-19-9)12-6-7-13(15(17)18)11-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18)
InChIKeyZFVKOPFKKAEZFO-UHFFFAOYSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1,2,4-thiadiazol-3-yl)naphthalene-1-carboxylic acid
CID 174669002
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 81345740
2-(2-amino-1,3-thiazol-4-yl)benzoic acid
CID 1409773
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635
7,8-dichloro-2-(2-methyl-1,3-thiazol-4-yl)quinoline-4-carboxylic acid
CID 115586989
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
CID 162757153
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
4-carboxynaphthalen-1-olate
CID 54707408

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid (CID 174668969) is 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)c3ccccc23)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid?
The InChIKey is ZFVKOPFKKAEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-9-16-14(8-19-9)12-6-7-13(15(17)18)11-5-3-2-4-10(11)12/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid?
4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 174668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).