8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one

C21H18N2O3S — CID 44562385

IUPAC8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccoc4)s3)cccc12
InChIInChI=1S/C21H18N2O3S/c24-17-11-19(23-8-2-1-3-9-23)26-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-25-13-14/h4-7,10-13H,1-3,8-9H2
InChIKeyTYPBSMXVBQZPNN-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.17
Rot. Bonds3

About 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one

8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one (PubChem CID 44562385) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one
PubChem CID44562385
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccoc4)s3)cccc12
InChIInChI=1S/C21H18N2O3S/c24-17-11-19(23-8-2-1-3-9-23)26-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-25-13-14/h4-7,10-13H,1-3,8-9H2
InChIKeyTYPBSMXVBQZPNN-UHFFFAOYSA-N
XLogP5.17
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one (CID 44562385) is 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccoc4)s3)cccc12.
What is the InChIKey of 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one?
The InChIKey is TYPBSMXVBQZPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-17-11-19(23-8-2-1-3-9-23)26-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-25-13-14/h4-7,10-13H,1-3,8-9H2.
What are the key properties of 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one?
8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one has a molecular weight of 378.45 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(furan-3-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).