N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide

C13H20N2O2S — CID 75388484

IUPACN-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCN(CCc1nccs1)C(=O)C1OCCC1C
InChIInChI=1S/C13H20N2O2S/c1-3-15(7-4-11-14-6-9-18-11)13(16)12-10(2)5-8-17-12/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyBQUMIFVFJMEGEH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide

N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 75388484) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID75388484
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCCN(CCc1nccs1)C(=O)C1OCCC1C
InChIInChI=1S/C13H20N2O2S/c1-3-15(7-4-11-14-6-9-18-11)13(16)12-10(2)5-8-17-12/h6,9-10,12H,3-5,7-8H2,1-2H3
InChIKeyBQUMIFVFJMEGEH-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide (CID 75388484) is N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide is CCN(CCc1nccs1)C(=O)C1OCCC1C.
What is the InChIKey of N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is BQUMIFVFJMEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-15(7-4-11-14-6-9-18-11)13(16)12-10(2)5-8-17-12/h6,9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide?
N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 75388484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).