3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H12FNO4S — CID 43172110

IUPAC3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSCC2C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C14H12FNO4S/c1-7-8-3-2-4-9(15)12(8)20-11(7)13(17)16-6-21-5-10(16)14(18)19/h2-4,10H,5-6H2,1H3,(H,18,19)
InChIKeyHEHHFDHQLSKVIQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.48
Rot. Bonds2

About 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172110) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172110
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CSCC2C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C14H12FNO4S/c1-7-8-3-2-4-9(15)12(8)20-11(7)13(17)16-6-21-5-10(16)14(18)19/h2-4,10H,5-6H2,1H3,(H,18,19)
InChIKeyHEHHFDHQLSKVIQ-UHFFFAOYSA-N
XLogP2.48
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279
3-(2,6-difluoro-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82814856
4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 45209394
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948028
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43172110) is 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1c(C(=O)N2CSCC2C(=O)O)oc2c(F)cccc12.
What is the InChIKey of 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HEHHFDHQLSKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-7-8-3-2-4-9(15)12(8)20-11(7)13(17)16-6-21-5-10(16)14(18)19/h2-4,10H,5-6H2,1H3,(H,18,19).
What are the key properties of 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).