2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid

C11H9BrN2O2S — CID 104527137

IUPAC2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2O2S/c12-7-3-1-6(2-4-7)10-14-8(5-17-10)9(13)11(15)16/h1-5,9H,13H2,(H,15,16)
InChIKeyBIRCSXHMKJHHRT-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.66
Rot. Bonds3

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

2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527137) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527137
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H9BrN2O2S/c12-7-3-1-6(2-4-7)10-14-8(5-17-10)9(13)11(15)16/h1-5,9H,13H2,(H,15,16)
InChIKeyBIRCSXHMKJHHRT-UHFFFAOYSA-N
XLogP2.66
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527011
2-amino-2-[2-(5-bromo-2-pyridinyl)-1,3-thiazol-4-yl]acetic acid
CID 104527079
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 104527042
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
2-amino-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527102
2-amino-2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527034
2-amino-2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527113
2-amino-2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113423016
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422994
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355591

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid (CID 104527137) is 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BIRCSXHMKJHHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-7-3-1-6(2-4-7)10-14-8(5-17-10)9(13)11(15)16/h1-5,9H,13H2,(H,15,16).
What are the key properties of 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 313.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).