8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid

C16H12FNO2S — CID 58553227

IUPAC8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid
SMILESCc1nc(C)c(-c2c(F)ccc3ccc(C(=O)O)cc23)s1
InChIInChI=1S/C16H12FNO2S/c1-8-15(21-9(2)18-8)14-12-7-11(16(19)20)4-3-10(12)5-6-13(14)17/h3-7H,1-2H3,(H,19,20)
InChIKeyGVPDSGSJLIDUKS-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.42
Rot. Bonds2

About 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid

8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid (PubChem CID 58553227) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid
PubChem CID58553227
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid
SMILESCc1nc(C)c(-c2c(F)ccc3ccc(C(=O)O)cc23)s1
InChIInChI=1S/C16H12FNO2S/c1-8-15(21-9(2)18-8)14-12-7-11(16(19)20)4-3-10(12)5-6-13(14)17/h3-7H,1-2H3,(H,19,20)
InChIKeyGVPDSGSJLIDUKS-UHFFFAOYSA-N
XLogP4.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid?
The IUPAC name of 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid (CID 58553227) is 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid is Cc1nc(C)c(-c2c(F)ccc3ccc(C(=O)O)cc23)s1.
What is the InChIKey of 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid?
The InChIKey is GVPDSGSJLIDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-8-15(21-9(2)18-8)14-12-7-11(16(19)20)4-3-10(12)5-6-13(14)17/h3-7H,1-2H3,(H,19,20).
What are the key properties of 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid?
8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-fluoronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58553227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).