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

C14H16N2O4S2 — CID 787285

IUPACethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H16N2O4S2/c1-2-20-13(17)8-12-9-21-14(15-12)16-22(18,19)10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeyMTTAPKOPHIYEFH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.19
Rot. Bonds7

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

ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 787285) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID787285
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Nameethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H16N2O4S2/c1-2-20-13(17)8-12-9-21-14(15-12)16-22(18,19)10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeyMTTAPKOPHIYEFH-UHFFFAOYSA-N
XLogP2.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
Ethyl (2-{[(4-bromophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1346454
Ethyl [2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814007
[2-(3-Phenyl-acryloylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1556124
ethyl 2-[2-[[(E)-N-(2,4-difluorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5675017
Ethyl {2-[(2-naphthylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 1101317
Ethyl 2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]acetate
CID 702939
[2-(3-Phenyl-propionylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 702951
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
Ethyl 2-[2-(4-phenylbutanoylamino)-1,3-thiazol-4-yl]acetate
CID 950160
Ethyl (2-{[(benzylsulfonyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1094090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 787285) is ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is MTTAPKOPHIYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-2-20-13(17)8-12-9-21-14(15-12)16-22(18,19)10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 340.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 787285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).