2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid

C12H11ClN2O4S — CID 106510015

IUPAC2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2sc(N)nc2C(=O)O)c(Cl)c1OC
InChIInChI=1S/C12H11ClN2O4S/c1-18-6-4-3-5(7(13)9(6)19-2)10-8(11(16)17)15-12(14)20-10/h3-4H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZWQMBTXVHYEDEG-UHFFFAOYSA-N
MW314.75 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510015) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510015
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2sc(N)nc2C(=O)O)c(Cl)c1OC
InChIInChI=1S/C12H11ClN2O4S/c1-18-6-4-3-5(7(13)9(6)19-2)10-8(11(16)17)15-12(14)20-10/h3-4H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZWQMBTXVHYEDEG-UHFFFAOYSA-N
XLogP2.76
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 106510015) is 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2sc(N)nc2C(=O)O)c(Cl)c1OC.
What is the InChIKey of 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZWQMBTXVHYEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-18-6-4-3-5(7(13)9(6)19-2)10-8(11(16)17)15-12(14)20-10/h3-4H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 314.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).