5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid

C10H6BrClN2O2S — CID 103199996

IUPAC5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(Br)c(Cl)c2)nc1C(=O)O
InChIInChI=1S/C10H6BrClN2O2S/c11-5-2-1-4(3-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyKWXWMVMJNURMJI-UHFFFAOYSA-N
MW333.59 g/mol
LogP3.51
Rot. Bonds2

About 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199996) has the molecular formula C10H6BrClN2O2S and a molecular weight of 333.59 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199996
Molecular FormulaC10H6BrClN2O2S
Molecular Weight333.59 g/mol
Exact Mass331.90
IUPAC Name5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(Br)c(Cl)c2)nc1C(=O)O
InChIInChI=1S/C10H6BrClN2O2S/c11-5-2-1-4(3-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyKWXWMVMJNURMJI-UHFFFAOYSA-N
XLogP3.51
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 107970764
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019
2-(4-bromo-3-chlorophenyl)-1,3-benzothiazole
CID 94675121
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid (CID 103199996) is 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccc(Br)c(Cl)c2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KWXWMVMJNURMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2S/c11-5-2-1-4(3-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16).
What are the key properties of 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 333.59 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).