8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one

C23H20N2O2S — CID 44562271

IUPAC8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccccc4)s3)cccc12
InChIInChI=1S/C23H20N2O2S/c26-19-14-21(25-12-5-2-6-13-25)27-22-17(19)10-7-11-18(22)23-24-15-20(28-23)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyIIFMQVJPEDMMNF-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.57
Rot. Bonds3

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

8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one (PubChem CID 44562271) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one
PubChem CID44562271
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccccc4)s3)cccc12
InChIInChI=1S/C23H20N2O2S/c26-19-14-21(25-12-5-2-6-13-25)27-22-17(19)10-7-11-18(22)23-24-15-20(28-23)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyIIFMQVJPEDMMNF-UHFFFAOYSA-N
XLogP5.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholino-8-(3-(thiazol-2-yl)phenyl)-4H-chromen-4-one
CID 11956322
2-(piperidin-1-yl)-8-(5-(thiophen-2-yl)thiazol-2-yl)-4H-chromen-4-one
CID 44562272
2-(piperidin-1-yl)-8-(5-(thiophen-3-yl)thiazol-2-yl)-4H-chromen-4-one
CID 44562273
2-(piperidin-1-yl)-8-(5-(pyridin-4-yl)thiazol-2-yl)-4H-chromen-4-one
CID 44562274
2-(piperidin-1-yl)-8-(4-(thiophen-3-yl)pyridin-2-yl)-4H-chromen-4-one
CID 44562356
8-(5-(furan-3-yl)thiazol-2-yl)-2-(piperidin-1-yl)-4H-chromen-4-one
CID 44562385
2-(piperidin-1-yl)-8-(5-(pyridin-3-yl)thiazol-2-yl)-4H-chromen-4-one
CID 44562386
8-(5-(isoquinolin-5-yl)thiophen-2-yl)-2-(piperidin-1-yl)-4H-chromen-4-one
CID 44562591
(2-Methoxyphenyl){1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}methanone
CID 16190112
(4-Methoxy-3,5-dimethylphenyl){1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidinyl}methanone
CID 16190991
2-(piperidin-1-yl)-8-(4-(thiophen-2-yl)pyridin-2-yl)-4H-chromen-4-one
CID 44562396
(5-Fluoro-2-methoxyphenyl){1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidinyl}methanone
CID 16191148

Frequently Asked Questions

What is the IUPAC name of 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one (CID 44562271) is 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4ccccc4)s3)cccc12.
What is the InChIKey of 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one?
The InChIKey is IIFMQVJPEDMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-19-14-21(25-12-5-2-6-13-25)27-22-17(19)10-7-11-18(22)23-24-15-20(28-23)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2.
What are the key properties of 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one?
8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one has a molecular weight of 388.49 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).