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

C9H14N2O5S2 — CID 55014446

IUPACmethyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOCCS(=O)(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C9H14N2O5S2/c1-15-3-4-18(13,14)11-9-10-7(6-17-9)5-8(12)16-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyIBLGLKNVWSFFRQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.25
Rot. Bonds7

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

methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 55014446) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID55014446
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Namemethyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOCCS(=O)(=O)Nc1nc(CC(=O)OC)cs1
InChIInChI=1S/C9H14N2O5S2/c1-15-3-4-18(13,14)11-9-10-7(6-17-9)5-8(12)16-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyIBLGLKNVWSFFRQ-UHFFFAOYSA-N
XLogP0.25
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
methyl 4-[2-(3-methoxypropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655416
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-2-methoxyethanesulfonamide
CID 64555946
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 55014446) is methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate is COCCS(=O)(=O)Nc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is IBLGLKNVWSFFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-15-3-4-18(13,14)11-9-10-7(6-17-9)5-8(12)16-2/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 294.35 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55014446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).