acetic acid;2-chloro-1,3-thiazole

C5H6ClNO2S — CID 162318413

IUPACacetic acid;2-chloro-1,3-thiazole
SMILESCC(=O)O.Clc1nccs1
InChIInChI=1S/C3H2ClNS.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H;1H3,(H,3,4)
InChIKeyGSUKHXKRDBASKZ-UHFFFAOYSA-N
MW179.63 g/mol
LogP1.89
Rot. Bonds

About acetic acid;2-chloro-1,3-thiazole

acetic acid;2-chloro-1,3-thiazole (PubChem CID 162318413) has the molecular formula C5H6ClNO2S and a molecular weight of 179.63 g/mol. Its IUPAC name is acetic acid;2-chloro-1,3-thiazole.

Molecular Properties

Compound Nameacetic acid;2-chloro-1,3-thiazole
PubChem CID162318413
Molecular FormulaC5H6ClNO2S
Molecular Weight179.63 g/mol
Exact Mass178.98
IUPAC Nameacetic acid;2-chloro-1,3-thiazole
SMILESCC(=O)O.Clc1nccs1
InChIInChI=1S/C3H2ClNS.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H;1H3,(H,3,4)
InChIKeyGSUKHXKRDBASKZ-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
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2-chloro-1,3-thiazole;methyl N-methyl-N-nitrocarbamimidothioate
CID 174701302
CID 69459233
CID 69459233
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
(E)-3-(1,3-thiazol-2-yl)(1,2,3-13C3)prop-2-enoic acid
CID 171379273
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine
CID 174590691
4-(1,3-thiazol-2-yl)but-3-en-2-one
CID 54371892
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
1,3-thiazol-2-ylsulfanylformic acid
CID 88841214
2-methyl-1,3-thiazole;hydrate;hydrochloride
CID 22288455

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-chloro-1,3-thiazole?
The IUPAC name of acetic acid;2-chloro-1,3-thiazole (CID 162318413) is acetic acid;2-chloro-1,3-thiazole.
What is the SMILES notation for acetic acid;2-chloro-1,3-thiazole?
The canonical SMILES for acetic acid;2-chloro-1,3-thiazole is CC(=O)O.Clc1nccs1.
What is the InChIKey of acetic acid;2-chloro-1,3-thiazole?
The InChIKey is GSUKHXKRDBASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNS.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H;1H3,(H,3,4).
What are the key properties of acetic acid;2-chloro-1,3-thiazole?
acetic acid;2-chloro-1,3-thiazole has a molecular weight of 179.63 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-chloro-1,3-thiazole is sourced from PubChem (CID 162318413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).