3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid

C6H5Cl2NO4S — CID 118140935

IUPAC3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1sc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2NO4S/c7-4-3(14-6(8)9-4)1(10)2(11)5(12)13/h1-2,10-11H,(H,12,13)
InChIKeyBCKXSECZDDGAGD-UHFFFAOYSA-N
MW258.08 g/mol
LogP0.93
Rot. Bonds3

About 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid

3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid (PubChem CID 118140935) has the molecular formula C6H5Cl2NO4S and a molecular weight of 258.08 g/mol. Its IUPAC name is 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid
PubChem CID118140935
Molecular FormulaC6H5Cl2NO4S
Molecular Weight258.08 g/mol
Exact Mass256.93
IUPAC Name3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1sc(Cl)nc1Cl
InChIInChI=1S/C6H5Cl2NO4S/c7-4-3(14-6(8)9-4)1(10)2(11)5(12)13/h1-2,10-11H,(H,12,13)
InChIKeyBCKXSECZDDGAGD-UHFFFAOYSA-N
XLogP0.93
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid (CID 118140935) is 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1sc(Cl)nc1Cl.
What is the InChIKey of 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is BCKXSECZDDGAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO4S/c7-4-3(14-6(8)9-4)1(10)2(11)5(12)13/h1-2,10-11H,(H,12,13).
What are the key properties of 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid?
3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 258.08 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 118140935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).