2-(3-methyl-1,2-thiazol-5-yl)acetic acid

C6H7NO2S — CID 82372986

IUPAC2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(CC(=O)O)sn1
InChIInChI=1S/C6H7NO2S/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyAMYMJKXYQQPVKK-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.08
Rot. Bonds2

About 2-(3-methyl-1,2-thiazol-5-yl)acetic acid

2-(3-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 82372986) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(3-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID82372986
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(CC(=O)O)sn1
InChIInChI=1S/C6H7NO2S/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyAMYMJKXYQQPVKK-UHFFFAOYSA-N
XLogP1.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1,2-thiazol-5-yl)acetic acid (CID 82372986) is 2-(3-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cc(CC(=O)O)sn1.
What is the InChIKey of 2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is AMYMJKXYQQPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9).
What are the key properties of 2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
2-(3-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 157.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82372986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).