methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate

C9H12N2O5S2 — CID 61354731

IUPACmethyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C9H12N2O5S2/c1-16-8(13)3-6-4-17-9(10-6)11-7(12)5-18(2,14)15/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyIQMXLGXPYUXJIH-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.16
Rot. Bonds5

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

methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 61354731) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID61354731
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Namemethyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C9H12N2O5S2/c1-16-8(13)3-6-4-17-9(10-6)11-7(12)5-18(2,14)15/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyIQMXLGXPYUXJIH-UHFFFAOYSA-N
XLogP-0.16
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 38984448
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
methyl 2-[2-[(2-cyclohexyloxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 51087089

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 61354731) is methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)CS(C)(=O)=O)n1.
What is the InChIKey of methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IQMXLGXPYUXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c1-16-8(13)3-6-4-17-9(10-6)11-7(12)5-18(2,14)15/h4H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 292.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 61354731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).