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

C8H13N3O4S2 — CID 87417104

IUPACmethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3,(H2,9,10)
InChIKeyLSINGFOLUZTZLD-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.17
Rot. Bonds4

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

methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (PubChem CID 87417104) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
PubChem CID87417104
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Namemethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3,(H2,9,10)
InChIKeyLSINGFOLUZTZLD-UHFFFAOYSA-N
XLogP-0.17
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (CID 87417104) is methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is LSINGFOLUZTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)10-5)17(13,14)11(2)4-6(12)15-3/h4H2,1-3H3,(H2,9,10).
What are the key properties of methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 279.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 87417104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).