methyl 2-(1,2-thiazol-3-yl)acetate

C6H7NO2S — CID 71352802

IUPACmethyl 2-(1,2-thiazol-3-yl)acetate
SMILESCOC(=O)Cc1ccsn1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChIKeyKQDWCWXNAQMSFE-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.86
Rot. Bonds2

About methyl 2-(1,2-thiazol-3-yl)acetate

methyl 2-(1,2-thiazol-3-yl)acetate (PubChem CID 71352802) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl 2-(1,2-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2-thiazol-3-yl)acetate
PubChem CID71352802
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl 2-(1,2-thiazol-3-yl)acetate
SMILESCOC(=O)Cc1ccsn1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChIKeyKQDWCWXNAQMSFE-UHFFFAOYSA-N
XLogP0.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-thiazol-3-yl)acetate
CID 22119909
methyl 2-(2,1-benzothiazol-7-yl)acetate
CID 134110087
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(4-ethyl-6-methyl-2-pyridinyl)acetate
CID 59382426
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087
methyl 1,2-thiazol-3-yl carbonate
CID 119096302
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(1,2-thiazol-3-yl)acetate (CID 71352802) is methyl 2-(1,2-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1,2-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(1,2-thiazol-3-yl)acetate is COC(=O)Cc1ccsn1.
What is the InChIKey of methyl 2-(1,2-thiazol-3-yl)acetate?
The InChIKey is KQDWCWXNAQMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(1,2-thiazol-3-yl)acetate?
methyl 2-(1,2-thiazol-3-yl)acetate has a molecular weight of 157.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-thiazol-3-yl)acetate is sourced from PubChem (CID 71352802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).