acetic acid;2,4-dichloro-1,3-thiazole

C5H5Cl2NO2S — CID 70434379

IUPACacetic acid;2,4-dichloro-1,3-thiazole
SMILESCC(=O)O.Clc1csc(Cl)n1
InChIInChI=1S/C3HCl2NS.C2H4O2/c4-2-1-7-3(5)6-2;1-2(3)4/h1H;1H3,(H,3,4)
InChIKeySFQMTYPDTXDHRY-UHFFFAOYSA-N
MW214.07 g/mol
LogP2.54
Rot. Bonds

About acetic acid;2,4-dichloro-1,3-thiazole

acetic acid;2,4-dichloro-1,3-thiazole (PubChem CID 70434379) has the molecular formula C5H5Cl2NO2S and a molecular weight of 214.07 g/mol. Its IUPAC name is acetic acid;2,4-dichloro-1,3-thiazole.

Molecular Properties

Compound Nameacetic acid;2,4-dichloro-1,3-thiazole
PubChem CID70434379
Molecular FormulaC5H5Cl2NO2S
Molecular Weight214.07 g/mol
Exact Mass212.94
IUPAC Nameacetic acid;2,4-dichloro-1,3-thiazole
SMILESCC(=O)O.Clc1csc(Cl)n1
InChIInChI=1S/C3HCl2NS.C2H4O2/c4-2-1-7-3(5)6-2;1-2(3)4/h1H;1H3,(H,3,4)
InChIKeySFQMTYPDTXDHRY-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-dichloro-1,3-thiazole?
The IUPAC name of acetic acid;2,4-dichloro-1,3-thiazole (CID 70434379) is acetic acid;2,4-dichloro-1,3-thiazole.
What is the SMILES notation for acetic acid;2,4-dichloro-1,3-thiazole?
The canonical SMILES for acetic acid;2,4-dichloro-1,3-thiazole is CC(=O)O.Clc1csc(Cl)n1.
What is the InChIKey of acetic acid;2,4-dichloro-1,3-thiazole?
The InChIKey is SFQMTYPDTXDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2NS.C2H4O2/c4-2-1-7-3(5)6-2;1-2(3)4/h1H;1H3,(H,3,4).
What are the key properties of acetic acid;2,4-dichloro-1,3-thiazole?
acetic acid;2,4-dichloro-1,3-thiazole has a molecular weight of 214.07 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-dichloro-1,3-thiazole is sourced from PubChem (CID 70434379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).