ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate

C10H15NO2S — CID 91179124

IUPACethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate
SMILESCCOC(=O)CC(C)c1ncc(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)5-7(2)10-11-6-8(3)14-10/h6-7H,4-5H2,1-3H3
InChIKeyKCHMMEXHNCPPFV-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.51
Rot. Bonds4

About ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate

ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate (PubChem CID 91179124) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate
PubChem CID91179124
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate
SMILESCCOC(=O)CC(C)c1ncc(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)5-7(2)10-11-6-8(3)14-10/h6-7H,4-5H2,1-3H3
InChIKeyKCHMMEXHNCPPFV-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate?
The IUPAC name of ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate (CID 91179124) is ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate.
What is the SMILES notation for ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate?
The canonical SMILES for ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate is CCOC(=O)CC(C)c1ncc(C)s1.
What is the InChIKey of ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate?
The InChIKey is KCHMMEXHNCPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-9(12)5-7(2)10-11-6-8(3)14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate?
ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate has a molecular weight of 213.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-1,3-thiazol-2-yl)butanoate is sourced from PubChem (CID 91179124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).