3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H11N3O3S2 — CID 62792239

IUPAC3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H11N3O3S2/c1-4-6(17-9(10)11-4)7(13)12-3-16-2-5(12)8(14)15/h5H,2-3H2,1H3,(H2,10,11)(H,14,15)
InChIKeyBSERONSTLXGLLT-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.63
Rot. Bonds2

About 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62792239) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62792239
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nc(N)sc1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H11N3O3S2/c1-4-6(17-9(10)11-4)7(13)12-3-16-2-5(12)8(14)15/h5H,2-3H2,1H3,(H2,10,11)(H,14,15)
InChIKeyBSERONSTLXGLLT-UHFFFAOYSA-N
XLogP0.63
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 62792239) is 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1nc(N)sc1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BSERONSTLXGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-4-6(17-9(10)11-4)7(13)12-3-16-2-5(12)8(14)15/h5H,2-3H2,1H3,(H2,10,11)(H,14,15).
What are the key properties of 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62792239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).