ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

C9H13NO2S — CID 21099803

IUPACethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nccs1
InChIInChI=1S/C9H13NO2S/c1-4-12-8(11)9(2,3)7-10-5-6-13-7/h5-6H,4H2,1-3H3
InChIKeyGAZGQTXCXSUOCM-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.98
Rot. Bonds3

About ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 21099803) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
PubChem CID21099803
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nccs1
InChIInChI=1S/C9H13NO2S/c1-4-12-8(11)9(2,3)7-10-5-6-13-7/h5-6H,4H2,1-3H3
InChIKeyGAZGQTXCXSUOCM-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 ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate (CID 21099803) is ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(C)(C)c1nccs1.
What is the InChIKey of ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is GAZGQTXCXSUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-12-8(11)9(2,3)7-10-5-6-13-7/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate 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 ethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 21099803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).