ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate

C7H9BrN2O4S2 — CID 61457278

IUPACethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O4S2/c1-2-14-6(11)4-16(12,13)10-7-9-3-5(8)15-7/h3H,2,4H2,1H3,(H,9,10)
InChIKeyHOITXFHCHJTAJR-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.21
Rot. Bonds5

About ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate

ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate (PubChem CID 61457278) has the molecular formula C7H9BrN2O4S2 and a molecular weight of 329.20 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate
PubChem CID61457278
Molecular FormulaC7H9BrN2O4S2
Molecular Weight329.20 g/mol
Exact Mass327.92
IUPAC Nameethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O4S2/c1-2-14-6(11)4-16(12,13)10-7-9-3-5(8)15-7/h3H,2,4H2,1H3,(H,9,10)
InChIKeyHOITXFHCHJTAJR-UHFFFAOYSA-N
XLogP1.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60785293
N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
CID 55219468
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid
CID 60785429
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058
ethyl 4-(5-bromo-1,3-thiazol-2-yl)-3-oxobutanoate
CID 156888760
3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528667
N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide
CID 116814916
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537791
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate (CID 61457278) is ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate?
The InChIKey is HOITXFHCHJTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O4S2/c1-2-14-6(11)4-16(12,13)10-7-9-3-5(8)15-7/h3H,2,4H2,1H3,(H,9,10).
What are the key properties of ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate?
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate has a molecular weight of 329.20 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate is sourced from PubChem (CID 61457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).