2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid

C5H5BrN2O2S — CID 84699846

IUPAC2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid
SMILESNC(C(=O)O)c1sncc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-2-1-8-11-4(2)3(7)5(9)10/h1,3H,7H2,(H,9,10)
InChIKeyVRUTXUFCOUOGJW-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid

2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid (PubChem CID 84699846) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid
PubChem CID84699846
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid
SMILESNC(C(=O)O)c1sncc1Br
InChIInChI=1S/C5H5BrN2O2S/c6-2-1-8-11-4(2)3(7)5(9)10/h1,3H,7H2,(H,9,10)
InChIKeyVRUTXUFCOUOGJW-UHFFFAOYSA-N
XLogP0.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(1,2-thiazol-5-yl)acetic acid
CID 82415777
2-(4-Bromo-1,2-thiazol-5-yl)-2,2-difluoroacetic acid
CID 165495402
2-(4-Bromo-1,2-thiazol-5-yl)-2-fluoroacetic acid
CID 165830871
2-(4-Bromo-1,2-thiazol-5-yl)acetic acid
CID 82392292
2-Amino-2-(4-methyl-1,2-thiazol-5-yl)acetic acid
CID 82411879
2-Amino-2-(4-chloro-1,2-thiazol-5-yl)acetic acid
CID 84664406
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688090
2-Amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 84707374
3-Amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 84707375
3-Amino-2-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 84707376
4-Amino-4-(4-bromo-1,2-thiazol-5-yl)butanoic acid
CID 84711388
Methyl 2-(4-bromo-1,2-thiazol-5-yl)acetate
CID 131302013

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid (CID 84699846) is 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid is NC(C(=O)O)c1sncc1Br.
What is the InChIKey of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid?
The InChIKey is VRUTXUFCOUOGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-2-1-8-11-4(2)3(7)5(9)10/h1,3H,7H2,(H,9,10).
What are the key properties of 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid?
2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid has a molecular weight of 237.08 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-bromo-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 84699846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).