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

C10H15NO2S — CID 47002683

IUPACmethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)7-6-14-8(11-7)5-9(12)13-4/h6H,5H2,1-4H3
InChIKeySWLYHOWGTOXBNL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.16
Rot. Bonds2

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

methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate (PubChem CID 47002683) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
PubChem CID47002683
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)7-6-14-8(11-7)5-9(12)13-4/h6H,5H2,1-4H3
InChIKeySWLYHOWGTOXBNL-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate (CID 47002683) is methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate is COC(=O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate?
The InChIKey is SWLYHOWGTOXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)7-6-14-8(11-7)5-9(12)13-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate?
methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate has a molecular weight of 213.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 47002683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).