1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate

C14H18N2O4S — CID 166270371

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCNC(=O)C1)c1nc2c(s1)COCC2
InChIInChI=1S/C14H18N2O4S/c1-8(13-16-10-3-5-19-7-11(10)21-13)20-14(18)9-2-4-15-12(17)6-9/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyMYNUHLGYMBRJKW-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.35
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate (PubChem CID 166270371) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate
PubChem CID166270371
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCNC(=O)C1)c1nc2c(s1)COCC2
InChIInChI=1S/C14H18N2O4S/c1-8(13-16-10-3-5-19-7-11(10)21-13)20-14(18)9-2-4-15-12(17)6-9/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyMYNUHLGYMBRJKW-UHFFFAOYSA-N
XLogP1.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate (CID 166270371) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate is CC(OC(=O)C1CCNC(=O)C1)c1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate?
The InChIKey is MYNUHLGYMBRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-8(13-16-10-3-5-19-7-11(10)21-13)20-14(18)9-2-4-15-12(17)6-9/h8-9H,2-7H2,1H3,(H,15,17).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl 2-oxopiperidine-4-carboxylate is sourced from PubChem (CID 166270371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).