ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate

C10H13ClN2O4S2 — CID 55006162

IUPACethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O4S2/c1-2-17-9(14)7-4-3-5-13(7)19(15,16)8-6-12-10(11)18-8/h6-7H,2-5H2,1H3
InChIKeyGCOSWSPCASGESR-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.51
Rot. Bonds4

About ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate

ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate (PubChem CID 55006162) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
PubChem CID55006162
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC Nameethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O4S2/c1-2-17-9(14)7-4-3-5-13(7)19(15,16)8-6-12-10(11)18-8/h6-7H,2-5H2,1H3
InChIKeyGCOSWSPCASGESR-UHFFFAOYSA-N
XLogP1.51
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate 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

(2S,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 167770322
ethyl (2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328421
Methyl 1-[(2-amino-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 86253784
(S)-1-(2-aminothiazole-5-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester
CID 86629877
(R)-1-(2-amino-thiazole-5-sulfonyl)pyrrolidine-2-carboxylic acid methyl ester
CID 86630199
Methyl 1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 91101499
methyl (2S)-1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 141377106
Methyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 43473957
Ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648325
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 55007212
Methyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 61041425
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate
CID 61045017

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate (CID 55006162) is ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The InChIKey is GCOSWSPCASGESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c1-2-17-9(14)7-4-3-5-13(7)19(15,16)8-6-12-10(11)18-8/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate has a molecular weight of 324.81 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 55006162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).