2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

C10H14N2O4S3 — CID 103414251

IUPAC2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C10H14N2O4S3/c1-3-8-12(7(5-17-8)10(13)14)19(15,16)9-4-11-6(2)18-9/h4,7-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyCHLVEXPFTAZUSJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.38
Rot. Bonds4

About 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103414251) has the molecular formula C10H14N2O4S3 and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID103414251
Molecular FormulaC10H14N2O4S3
Molecular Weight322.43 g/mol
Exact Mass322.01
IUPAC Name2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C10H14N2O4S3/c1-3-8-12(7(5-17-8)10(13)14)19(15,16)9-4-11-6(2)18-9/h4,7-8H,3,5H2,1-2H3,(H,13,14)
InChIKeyCHLVEXPFTAZUSJ-UHFFFAOYSA-N
XLogP1.38
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid (CID 103414251) is 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CHLVEXPFTAZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S3/c1-3-8-12(7(5-17-8)10(13)14)19(15,16)9-4-11-6(2)18-9/h4,7-8H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103414251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).