ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate

C10H15ClN2O4S2 — CID 55007212

IUPACethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-3-5-13(7-8(14)17-4-2)19(15,16)9-6-12-10(11)18-9/h6H,3-5,7H2,1-2H3
InChIKeyQURHFNNYVVUBPS-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.76
Rot. Bonds7

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

ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate (PubChem CID 55007212) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
PubChem CID55007212
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-3-5-13(7-8(14)17-4-2)19(15,16)9-6-12-10(11)18-9/h6H,3-5,7H2,1-2H3
InChIKeyQURHFNNYVVUBPS-UHFFFAOYSA-N
XLogP1.76
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate
CID 168898841
Methyl 3-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 61045413
Methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
CID 90758859
Ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
CID 91546457
Methyl 5-(ethylsulfamoyl)-1,3-thiazole-2-carboxylate
CID 169933873
Ethane;methyl 5-methylsulfonyl-1,3-thiazole-2-carboxylate
CID 176706752
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine
CID 43427530
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine
CID 43455785
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate
CID 43455794
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 43455906
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine
CID 43542204
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate (CID 55007212) is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The InChIKey is QURHFNNYVVUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-3-5-13(7-8(14)17-4-2)19(15,16)9-6-12-10(11)18-9/h6H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate has a molecular weight of 326.83 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 55007212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).