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

C6H7NO3S — CID 131143595

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(CC(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-10-5-2-4(11-7-5)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyDGOFKABQDQHSQI-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.78
Rot. Bonds3

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

2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (PubChem CID 131143595) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
PubChem CID131143595
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(CC(=O)O)sn1
InChIInChI=1S/C6H7NO3S/c1-10-5-2-4(11-7-5)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyDGOFKABQDQHSQI-UHFFFAOYSA-N
XLogP0.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (CID 131143595) is 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is COc1cc(CC(=O)O)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The InChIKey is DGOFKABQDQHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-5-2-4(11-7-5)3-6(8)9/h2H,3H2,1H3,(H,8,9).
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
2-(3-methoxy-1,2-thiazol-5-yl)acetic acid has a molecular weight of 173.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 131143595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).