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

C7H9NO3S — CID 53397348

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
SMILESCc1ncc(COCC(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-5-8-2-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyRLRFYNVRKYCMBO-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.05
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid (PubChem CID 53397348) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
PubChem CID53397348
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
SMILESCc1ncc(COCC(=O)O)s1
InChIInChI=1S/C7H9NO3S/c1-5-8-2-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyRLRFYNVRKYCMBO-UHFFFAOYSA-N
XLogP1.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid (CID 53397348) is 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid is Cc1ncc(COCC(=O)O)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid?
The InChIKey is RLRFYNVRKYCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-5-8-2-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid?
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid has a molecular weight of 187.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 53397348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).