2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one

C18H18N2O3S — CID 110214930

IUPAC2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(C(=O)c3cscn3)CC2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-15-9-17(23-16-4-2-1-3-13(15)16)12-5-7-20(8-6-12)18(22)14-10-24-11-19-14/h1-4,10-12,17H,5-9H2
InChIKeyVMBNOCAXIWKJMY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.03
Rot. Bonds2

About 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one

2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one (PubChem CID 110214930) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
PubChem CID110214930
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(C(=O)c3cscn3)CC2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-15-9-17(23-16-4-2-1-3-13(15)16)12-5-7-20(8-6-12)18(22)14-10-24-11-19-14/h1-4,10-12,17H,5-9H2
InChIKeyVMBNOCAXIWKJMY-UHFFFAOYSA-N
XLogP3.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 51588006
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-2,3-dihydrochromen-4-one
CID 110236924
(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 95798797
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 121022772
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one (CID 110214930) is 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one is O=C1CC(C2CCN(C(=O)c3cscn3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The InChIKey is VMBNOCAXIWKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-15-9-17(23-16-4-2-1-3-13(15)16)12-5-7-20(8-6-12)18(22)14-10-24-11-19-14/h1-4,10-12,17H,5-9H2.
What are the key properties of 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one has a molecular weight of 342.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 110214930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).