methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate

C9H13NO2S — CID 126639647

IUPACmethyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)9-10-5-7(13-9)4-8(11)12-3/h5-6H,4H2,1-3H3
InChIKeyYKSDNYSZNSANGZ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate

methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate (PubChem CID 126639647) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate
PubChem CID126639647
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Namemethyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)9-10-5-7(13-9)4-8(11)12-3/h5-6H,4H2,1-3H3
InChIKeyYKSDNYSZNSANGZ-UHFFFAOYSA-N
XLogP1.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate (CID 126639647) is methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate is COC(=O)Cc1cnc(C(C)C)s1.
What is the InChIKey of methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate?
The InChIKey is YKSDNYSZNSANGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(2)9-10-5-7(13-9)4-8(11)12-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate?
methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate has a molecular weight of 199.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-propan-2-yl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 126639647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).