[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C22H20N4OS2 — CID 24512746

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H20N4OS2/c1-14-19(29-21(24-14)17-7-4-5-11-23-17)22(27)26-12-9-15(10-13-26)20-25-16-6-2-3-8-18(16)28-20/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyOKIUGVFOWQODTP-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.14
Rot. Bonds3

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 24512746) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID24512746
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C22H20N4OS2/c1-14-19(29-21(24-14)17-7-4-5-11-23-17)22(27)26-12-9-15(10-13-26)20-25-16-6-2-3-8-18(16)28-20/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyOKIUGVFOWQODTP-UHFFFAOYSA-N
XLogP5.14
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 41323206
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 40987840
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9218779
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone
CID 51308885
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 24512746) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is OKIUGVFOWQODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-14-19(29-21(24-14)17-7-4-5-11-23-17)22(27)26-12-9-15(10-13-26)20-25-16-6-2-3-8-18(16)28-20/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 420.56 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 24512746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).