5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid

C8H5ClN2O3S — CID 106694863

IUPAC5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccoc2Cl)nc1C(=O)O
InChIInChI=1S/C8H5ClN2O3S/c9-5-3(1-2-14-5)7-11-4(8(12)13)6(10)15-7/h1-2H,10H2,(H,12,13)
InChIKeyVISFFVWYJFLWLU-UHFFFAOYSA-N
MW244.66 g/mol
LogP2.34
Rot. Bonds2

About 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106694863) has the molecular formula C8H5ClN2O3S and a molecular weight of 244.66 g/mol. Its IUPAC name is 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106694863
Molecular FormulaC8H5ClN2O3S
Molecular Weight244.66 g/mol
Exact Mass243.97
IUPAC Name5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccoc2Cl)nc1C(=O)O
InChIInChI=1S/C8H5ClN2O3S/c9-5-3(1-2-14-5)7-11-4(8(12)13)6(10)15-7/h1-2H,10H2,(H,12,13)
InChIKeyVISFFVWYJFLWLU-UHFFFAOYSA-N
XLogP2.34
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 107970764
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996
5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199947
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
5-amino-2-(2-ethoxy-3-nitrophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199939

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid (CID 106694863) is 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccoc2Cl)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is VISFFVWYJFLWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3S/c9-5-3(1-2-14-5)7-11-4(8(12)13)6(10)15-7/h1-2H,10H2,(H,12,13).
What are the key properties of 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 244.66 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106694863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).