2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C10H13NO4S2 — CID 104838235

IUPAC2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2CCS(=O)(=O)C2)sc1C(=O)O
InChIInChI=1S/C10H13NO4S2/c1-2-7-8(10(12)13)16-9(11-7)6-3-4-17(14,15)5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyDBLDTGYQIMFLBK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.31
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 104838235) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID104838235
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2CCS(=O)(=O)C2)sc1C(=O)O
InChIInChI=1S/C10H13NO4S2/c1-2-7-8(10(12)13)16-9(11-7)6-3-4-17(14,15)5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyDBLDTGYQIMFLBK-UHFFFAOYSA-N
XLogP1.31
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765116
ethyl 2-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526256
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838437
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
4-ethyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-5-carboxylic acid
CID 104838251
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 122150191

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 104838235) is 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(C2CCS(=O)(=O)C2)sc1C(=O)O.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DBLDTGYQIMFLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-2-7-8(10(12)13)16-9(11-7)6-3-4-17(14,15)5-6/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).