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

C13H14N2O4S2 — CID 43624515

IUPACmethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-19-12(16)7-11-8-20-13(14-11)15-21(17,18)9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyZNRRQTKOWSVDOE-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.80
Rot. Bonds6

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

methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43624515) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43624515
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namemethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c1-19-12(16)7-11-8-20-13(14-11)15-21(17,18)9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15)
InChIKeyZNRRQTKOWSVDOE-UHFFFAOYSA-N
XLogP1.80
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446
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-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 43624515) is methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZNRRQTKOWSVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-19-12(16)7-11-8-20-13(14-11)15-21(17,18)9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 326.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).