2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid

C11H8BrClN2O2S — CID 80575425

IUPAC2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H8BrClN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyQYPZHXPRMUEGHN-UHFFFAOYSA-N
MW347.62 g/mol
LogP3.93
Rot. Bonds4

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

2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80575425) has the molecular formula C11H8BrClN2O2S and a molecular weight of 347.62 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80575425
Molecular FormulaC11H8BrClN2O2S
Molecular Weight347.62 g/mol
Exact Mass345.92
IUPAC Name2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C11H8BrClN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyQYPZHXPRMUEGHN-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
2-amino-2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113423016
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
methyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574213
methyl 2-[2-(5-bromo-2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574470
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576751
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546952
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid (CID 80575425) is 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QYPZHXPRMUEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2S/c12-6-1-2-9(8(13)3-6)15-11-14-7(5-18-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 347.62 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).