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

C21H18N2O2S2 — CID 44562273

IUPAC2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccsc4)s3)cccc12
InChIInChI=1S/C21H18N2O2S2/c24-17-11-19(23-8-2-1-3-9-23)25-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-26-13-14/h4-7,10-13H,1-3,8-9H2
InChIKeyIEBMTNQFGWOOAA-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.64
Rot. Bonds3

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

2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 44562273) 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-3-yl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID44562273
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC Name2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccsc4)s3)cccc12
InChIInChI=1S/C21H18N2O2S2/c24-17-11-19(23-8-2-1-3-9-23)25-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-26-13-14/h4-7,10-13H,1-3,8-9H2
InChIKeyIEBMTNQFGWOOAA-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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Related Compounds

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CID 44562356
CID 44562356
CID 44562385
CID 44562385
CID 44562386
CID 44562386
CID 44562591
CID 44562591
CID 44562396
CID 44562396
CID 16093269
CID 16093269
CID 22678387
CID 22678387
CID 58757660
CID 58757660

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one (CID 44562273) is 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccsc4)s3)cccc12.
What is the InChIKey of 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is IEBMTNQFGWOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c24-17-11-19(23-8-2-1-3-9-23)25-20-15(17)5-4-6-16(20)21-22-12-18(27-21)14-7-10-26-13-14/h4-7,10-13H,1-3,8-9H2.
What are the key properties of 2-piperidin-1-yl-8-(5-thiophen-3-yl-1,3-thiazol-2-yl)chromen-4-one?
2-piperidin-1-yl-8-(5-thiophen-3-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-3-yl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 44562273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).