3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H18N2O2S — CID 86768421

IUPAC3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C14H18N2O2S/c17-14(12-4-2-7-18-10-12)16-6-1-3-11(9-16)13-15-5-8-19-13/h5,8,10-11H,1-4,6-7,9H2
InChIKeyKCCQFEQQMPUNRP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.54
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 86768421) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID86768421
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C14H18N2O2S/c17-14(12-4-2-7-18-10-12)16-6-1-3-11(9-16)13-15-5-8-19-13/h5,8,10-11H,1-4,6-7,9H2
InChIKeyKCCQFEQQMPUNRP-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 86768421) is 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(C1=COCCC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is KCCQFEQQMPUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14(12-4-2-7-18-10-12)16-6-1-3-11(9-16)13-15-5-8-19-13/h5,8,10-11H,1-4,6-7,9H2.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 278.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86768421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).