2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide

C7H9BrN4O2S — CID 79399792

IUPAC2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc(Br)cs1
InChIInChI=1S/C7H9BrN4O2S/c8-4-3-15-7(11-4)12(1-5(9)13)2-6(10)14/h3H,1-2H2,(H2,9,13)(H2,10,14)
InChIKeyZVDWTRBAFSRECZ-UHFFFAOYSA-N
MW293.15 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide (PubChem CID 79399792) has the molecular formula C7H9BrN4O2S and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
PubChem CID79399792
Molecular FormulaC7H9BrN4O2S
Molecular Weight293.15 g/mol
Exact Mass291.96
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc(Br)cs1
InChIInChI=1S/C7H9BrN4O2S/c8-4-3-15-7(11-4)12(1-5(9)13)2-6(10)14/h3H,1-2H2,(H2,9,13)(H2,10,14)
InChIKeyZVDWTRBAFSRECZ-UHFFFAOYSA-N
XLogP-0.32
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide (CID 79399792) is 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide is NC(=O)CN(CC(N)=O)c1nc(Br)cs1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide?
The InChIKey is ZVDWTRBAFSRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2S/c8-4-3-15-7(11-4)12(1-5(9)13)2-6(10)14/h3H,1-2H2,(H2,9,13)(H2,10,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide has a molecular weight of 293.15 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide is sourced from PubChem (CID 79399792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).