2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride

C7H10ClNO2S — CID 126766933

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride
SMILESCc1nc(C)c(CC(=O)O)s1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-4-6(3-7(9)10)11-5(2)8-4;/h3H2,1-2H3,(H,9,10);1H
InChIKeyNHFBHPLBDMYKOO-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride

2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride (PubChem CID 126766933) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride
PubChem CID126766933
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride
SMILESCc1nc(C)c(CC(=O)O)s1.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-4-6(3-7(9)10)11-5(2)8-4;/h3H2,1-2H3,(H,9,10);1H
InChIKeyNHFBHPLBDMYKOO-UHFFFAOYSA-N
XLogP1.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride (CID 126766933) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride is Cc1nc(C)c(CC(=O)O)s1.Cl.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride?
The InChIKey is NHFBHPLBDMYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-4-6(3-7(9)10)11-5(2)8-4;/h3H2,1-2H3,(H,9,10);1H.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride?
2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 126766933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).