methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate

C7H11NO2S — CID 56997596

IUPACmethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)CN1CSC=C1C
InChIInChI=1S/C7H11NO2S/c1-6-4-11-5-8(6)3-7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyWHFWKXTWNVARHB-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.03
Rot. Bonds2

About methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate

methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate (PubChem CID 56997596) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate
PubChem CID56997596
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Namemethyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)CN1CSC=C1C
InChIInChI=1S/C7H11NO2S/c1-6-4-11-5-8(6)3-7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyWHFWKXTWNVARHB-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate (CID 56997596) is methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate is COC(=O)CN1CSC=C1C.
What is the InChIKey of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate?
The InChIKey is WHFWKXTWNVARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6-4-11-5-8(6)3-7(9)10-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate?
methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate has a molecular weight of 173.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-2H-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 56997596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).