2,5-dichloro-1,3-thiazole-4-carboxylic acid

C4HCl2NO2S — CID 14555326

IUPAC2,5-dichloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)sc1Cl
InChIInChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChIKeyYECAGDHSLDVMAG-UHFFFAOYSA-N
MW198.03 g/mol
LogP2.15
Rot. Bonds1

About 2,5-dichloro-1,3-thiazole-4-carboxylic acid

2,5-dichloro-1,3-thiazole-4-carboxylic acid (PubChem CID 14555326) has the molecular formula C4HCl2NO2S and a molecular weight of 198.03 g/mol. Its IUPAC name is 2,5-dichloro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dichloro-1,3-thiazole-4-carboxylic acid
PubChem CID14555326
Molecular FormulaC4HCl2NO2S
Molecular Weight198.03 g/mol
Exact Mass196.91
IUPAC Name2,5-dichloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)sc1Cl
InChIInChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChIKeyYECAGDHSLDVMAG-UHFFFAOYSA-N
XLogP2.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2,5-dichloro-1,3-thiazole-4-carboxylic acid (CID 14555326) is 2,5-dichloro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dichloro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2,5-dichloro-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-1,3-thiazole-4-carboxylic acid?
The InChIKey is YECAGDHSLDVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9).
What are the key properties of 2,5-dichloro-1,3-thiazole-4-carboxylic acid?
2,5-dichloro-1,3-thiazole-4-carboxylic acid has a molecular weight of 198.03 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 14555326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).