2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid

C10H8BrN3O2S — CID 104527079

IUPAC2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C10H8BrN3O2S/c11-5-1-2-6(13-3-5)9-14-7(4-17-9)8(12)10(15)16/h1-4,8H,12H2,(H,15,16)
InChIKeyLZLXXYAUAAZJLY-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527079) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527079
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C10H8BrN3O2S/c11-5-1-2-6(13-3-5)9-14-7(4-17-9)8(12)10(15)16/h1-4,8H,12H2,(H,15,16)
InChIKeyLZLXXYAUAAZJLY-UHFFFAOYSA-N
XLogP2.05
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid (CID 104527079) is 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(-c2ccc(Br)cn2)n1.
What is the InChIKey of 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LZLXXYAUAAZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-5-1-2-6(13-3-5)9-14-7(4-17-9)8(12)10(15)16/h1-4,8H,12H2,(H,15,16).
What are the key properties of 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 314.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).