ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate

C10H15ClN2O4S2 — CID 55001067

IUPACethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O4S2/c1-4-13(6-8(14)17-5-2)19(15,16)9-7(3)12-10(11)18-9/h4-6H2,1-3H3
InChIKeyQLJWVJOWEFVWSO-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.68
Rot. Bonds6

About ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate

ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate (PubChem CID 55001067) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
PubChem CID55001067
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Nameethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O4S2/c1-4-13(6-8(14)17-5-2)19(15,16)9-7(3)12-10(11)18-9/h4-6H2,1-3H3
InChIKeyQLJWVJOWEFVWSO-UHFFFAOYSA-N
XLogP1.68
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate (CID 55001067) is ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate?
The InChIKey is QLJWVJOWEFVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-4-13(6-8(14)17-5-2)19(15,16)9-7(3)12-10(11)18-9/h4-6H2,1-3H3.
What are the key properties of ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate?
ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate has a molecular weight of 326.83 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 55001067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).