2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid

C8H3Cl2NO2S2 — CID 131048966

IUPAC2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C8H3Cl2NO2S2/c9-5-1-3(6(10)15-5)7-11-2-4(14-7)8(12)13/h1-2H,(H,12,13)
InChIKeyDRKONRHLBHASEW-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.88
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid

2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 131048966) has the molecular formula C8H3Cl2NO2S2 and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID131048966
Molecular FormulaC8H3Cl2NO2S2
Molecular Weight280.16 g/mol
Exact Mass278.90
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Cl)sc2Cl)s1
InChIInChI=1S/C8H3Cl2NO2S2/c9-5-1-3(6(10)15-5)7-11-2-4(14-7)8(12)13/h1-2H,(H,12,13)
InChIKeyDRKONRHLBHASEW-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid (CID 131048966) is 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2cc(Cl)sc2Cl)s1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DRKONRHLBHASEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NO2S2/c9-5-1-3(6(10)15-5)7-11-2-4(14-7)8(12)13/h1-2H,(H,12,13).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid?
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 131048966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).