methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate

C6H5BrN2O3S — CID 53352081

IUPACmethyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H5BrN2O3S/c1-12-5(11)4(10)9-6-8-2-3(7)13-6/h2H,1H3,(H,8,9,10)
InChIKeyYOWHFUKXRPXFAQ-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.02
Rot. Bonds1

About methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate

methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate (PubChem CID 53352081) has the molecular formula C6H5BrN2O3S and a molecular weight of 265.09 g/mol. Its IUPAC name is methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
PubChem CID53352081
Molecular FormulaC6H5BrN2O3S
Molecular Weight265.09 g/mol
Exact Mass263.92
IUPAC Namemethyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H5BrN2O3S/c1-12-5(11)4(10)9-6-8-2-3(7)13-6/h2H,1H3,(H,8,9,10)
InChIKeyYOWHFUKXRPXFAQ-UHFFFAOYSA-N
XLogP1.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[(5-chloro-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 1897058
2-Acetamido-5-bromo-1,3-thiazole
CID 350260
Ethyl 2-oxo-2-(1,3-thiazol-2-ylamino)acetate
CID 1714008
2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoacetic acid
CID 60784184
N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208552
N-(5-Bromo-thiazol-2-yl)-2-ethoxy-acetamide
CID 22170710
Methyl (5-bromo-1,3-thiazol-2-yl)carbamate
CID 45117841
Methyl 2-((5-chlorothiazol-2-yl)amino)-2-oxoacetate
CID 45117893
Ethyl 2-[[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetate
CID 87899890
N-(5-bromo-4-deuterio-1,3-thiazol-2-yl)acetamide
CID 176135847
N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide
CID 3572888
N'-(5-bromo-1,3-thiazol-2-yl)oxamide
CID 3578769

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate (CID 53352081) is methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The InChIKey is YOWHFUKXRPXFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3S/c1-12-5(11)4(10)9-6-8-2-3(7)13-6/h2H,1H3,(H,8,9,10).
What are the key properties of methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate?
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate has a molecular weight of 265.09 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 53352081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).