[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C18H22N4O2S — CID 53145851

IUPAC[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccc(N3CCOCC3)nc2)n1)N1CCCCC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-6-2-1-3-7-22)15-13-25-17(20-15)14-4-5-16(19-12-14)21-8-10-24-11-9-21/h4-5,12-13H,1-3,6-11H2
InChIKeyXIZMWSUXIBURRW-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.67
Rot. Bonds3

About [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53145851) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53145851
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(-c2ccc(N3CCOCC3)nc2)n1)N1CCCCC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-6-2-1-3-7-22)15-13-25-17(20-15)14-4-5-16(19-12-14)21-8-10-24-11-9-21/h4-5,12-13H,1-3,6-11H2
InChIKeyXIZMWSUXIBURRW-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 53145851) is [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is O=C(c1csc(-c2ccc(N3CCOCC3)nc2)n1)N1CCCCC1.
What is the InChIKey of [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is XIZMWSUXIBURRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-18(22-6-2-1-3-7-22)15-13-25-17(20-15)14-4-5-16(19-12-14)21-8-10-24-11-9-21/h4-5,12-13H,1-3,6-11H2.
What are the key properties of [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 358.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53145851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).