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

C8H11ClN2O4S2 — CID 43456185

IUPACmethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H11ClN2O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3
InChIKeyCNYUITIXTAJCCO-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.90
Rot. Bonds4

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

methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (PubChem CID 43456185) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
PubChem CID43456185
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H11ClN2O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3
InChIKeyCNYUITIXTAJCCO-UHFFFAOYSA-N
XLogP0.90
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (CID 43456185) is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is CNYUITIXTAJCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3.
What are the key properties of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 298.77 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 43456185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).