methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate

C11H15NO2S — CID 116887037

IUPACmethyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
SMILESCCc1nc(C)c(C2(C(=O)OC)CC2)s1
InChIInChI=1S/C11H15NO2S/c1-4-8-12-7(2)9(15-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3
InChIKeyNPYJNHPMJAWFGK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.22
Rot. Bonds3

About methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate

methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate (PubChem CID 116887037) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
PubChem CID116887037
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
SMILESCCc1nc(C)c(C2(C(=O)OC)CC2)s1
InChIInChI=1S/C11H15NO2S/c1-4-8-12-7(2)9(15-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3
InChIKeyNPYJNHPMJAWFGK-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate (CID 116887037) is methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate is CCc1nc(C)c(C2(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate?
The InChIKey is NPYJNHPMJAWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-8-12-7(2)9(15-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3.
What are the key properties of methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate?
methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116887037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).