ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate

C9H10ClN3O4S2 — CID 54921109

IUPACethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H10ClN3O4S2/c1-2-17-6(14)5-11-19(15,16)8-7(10)12-9-13(8)3-4-18-9/h3-4,11H,2,5H2,1H3
InChIKeyYSSXMDCQHRGUIG-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate

ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate (PubChem CID 54921109) has the molecular formula C9H10ClN3O4S2 and a molecular weight of 323.78 g/mol. Its IUPAC name is ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
PubChem CID54921109
Molecular FormulaC9H10ClN3O4S2
Molecular Weight323.78 g/mol
Exact Mass322.98
IUPAC Nameethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C9H10ClN3O4S2/c1-2-17-6(14)5-11-19(15,16)8-7(10)12-9-13(8)3-4-18-9/h3-4,11H,2,5H2,1H3
InChIKeyYSSXMDCQHRGUIG-UHFFFAOYSA-N
XLogP0.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate (CID 54921109) is ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate?
The InChIKey is YSSXMDCQHRGUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4S2/c1-2-17-6(14)5-11-19(15,16)8-7(10)12-9-13(8)3-4-18-9/h3-4,11H,2,5H2,1H3.
What are the key properties of ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate?
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate has a molecular weight of 323.78 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate is sourced from PubChem (CID 54921109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).