methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate

C11H16N2O2S — CID 115423688

IUPACmethyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCC1CCCN1c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H16N2O2S/c1-3-8-5-4-6-13(8)11-12-9(7-16-11)10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyMVZBTQNIZWKCFH-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate

methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115423688) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID115423688
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCC1CCCN1c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H16N2O2S/c1-3-8-5-4-6-13(8)11-12-9(7-16-11)10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyMVZBTQNIZWKCFH-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 115423633
methyl 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306992
ethyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3-thiazole-4-carboxylate
CID 102729075
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306720
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 117094071
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
CID 104690113
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 174748579

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate (CID 115423688) is methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate is CCC1CCCN1c1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is MVZBTQNIZWKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-8-5-4-6-13(8)11-12-9(7-16-11)10(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).