2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one

C21H18N2O2S2 — CID 44562272

IUPAC2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccs4)s3)cccc12
InChIInChI=1S/C21H18N2O2S2/c24-16-12-19(23-9-2-1-3-10-23)25-20-14(16)6-4-7-15(20)21-22-13-18(27-21)17-8-5-11-26-17/h4-8,11-13H,1-3,9-10H2
InChIKeyXJNUXAOYAYFPPK-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.64
Rot. Bonds3

About 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one

2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 44562272) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID44562272
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC Name2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccs4)s3)cccc12
InChIInChI=1S/C21H18N2O2S2/c24-16-12-19(23-9-2-1-3-10-23)25-20-14(16)6-4-7-15(20)21-22-13-18(27-21)17-8-5-11-26-17/h4-8,11-13H,1-3,9-10H2
InChIKeyXJNUXAOYAYFPPK-UHFFFAOYSA-N
XLogP5.64
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one (CID 44562272) is 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccs4)s3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is XJNUXAOYAYFPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c24-16-12-19(23-9-2-1-3-10-23)25-20-14(16)6-4-7-15(20)21-22-13-18(27-21)17-8-5-11-26-17/h4-8,11-13H,1-3,9-10H2.
What are the key properties of 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one?
2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one has a molecular weight of 394.52 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-8-(5-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 44562272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).