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

C7H9NO3S — CID 82372991

IUPAC2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid
SMILESCOCc1cc(CC(=O)O)sn1
InChIInChI=1S/C7H9NO3S/c1-11-4-5-2-6(12-8-5)3-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyDGTQSOBIDRWFIB-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.92
Rot. Bonds4

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

2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid (PubChem CID 82372991) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid
PubChem CID82372991
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid
SMILESCOCc1cc(CC(=O)O)sn1
InChIInChI=1S/C7H9NO3S/c1-11-4-5-2-6(12-8-5)3-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyDGTQSOBIDRWFIB-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1,2-thiazol-5-yl)acetic acid
CID 82372986
2,2-Difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 130882635
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
Ethyl 5-ethyl-3-isothiazolecarboxylate
CID 118946361
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]cyclobutane-1-carboxylic acid
CID 96602541
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 96612609
2-(3-Methyl-1,2-thiazol-5-yl)propanoic acid
CID 112489556
2-Hydroxy-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131083966

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid (CID 82372991) is 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid is COCc1cc(CC(=O)O)sn1.
What is the InChIKey of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid?
The InChIKey is DGTQSOBIDRWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-11-4-5-2-6(12-8-5)3-7(9)10/h2H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid?
2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid has a molecular weight of 187.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-1,2-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82372991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).