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

C22H19N3O2S — CID 44562386

IUPAC2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccnc4)s3)cccc12
InChIInChI=1S/C22H19N3O2S/c26-18-12-20(25-10-2-1-3-11-25)27-21-16(18)7-4-8-17(21)22-24-14-19(28-22)15-6-5-9-23-13-15/h4-9,12-14H,1-3,10-11H2
InChIKeyKTNVYMDQZQKDQR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.97
Rot. Bonds3

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

2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 44562386) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID44562386
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccnc4)s3)cccc12
InChIInChI=1S/C22H19N3O2S/c26-18-12-20(25-10-2-1-3-11-25)27-21-16(18)7-4-8-17(21)22-24-14-19(28-22)15-6-5-9-23-13-15/h4-9,12-14H,1-3,10-11H2
InChIKeyKTNVYMDQZQKDQR-UHFFFAOYSA-N
XLogP4.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.97
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-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one (CID 44562386) is 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccnc4)s3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is KTNVYMDQZQKDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-18-12-20(25-10-2-1-3-11-25)27-21-16(18)7-4-8-17(21)22-24-14-19(28-22)15-6-5-9-23-13-15/h4-9,12-14H,1-3,10-11H2.
What are the key properties of 2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one?
2-piperidin-1-yl-8-(5-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one has a molecular weight of 389.48 g/mol, XLogP of 4.97, 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-pyridin-3-yl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 44562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).