[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone

C19H16F2N2OS — CID 166321274

IUPAC[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(c2nc3cc(F)c(F)cc3s2)CC1
InChIInChI=1S/C19H16F2N2OS/c20-14-10-16-17(11-15(14)21)25-19(22-16)23-8-6-13(7-9-23)18(24)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyWSYHFQQTQNIRCM-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.67
Rot. Bonds3

About [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone

[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone (PubChem CID 166321274) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
PubChem CID166321274
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC Name[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(c2nc3cc(F)c(F)cc3s2)CC1
InChIInChI=1S/C19H16F2N2OS/c20-14-10-16-17(11-15(14)21)25-19(22-16)23-8-6-13(7-9-23)18(24)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2
InChIKeyWSYHFQQTQNIRCM-UHFFFAOYSA-N
XLogP4.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl) 2-(4-methoxycarbonylpiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 153407312
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
(2-fluorophenyl) 2-(4-benzamidopiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 153407327
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 90609784
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90609863
3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90609763
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
(4-benzhydrylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611224
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone (CID 166321274) is [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(c2nc3cc(F)c(F)cc3s2)CC1.
What is the InChIKey of [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone?
The InChIKey is WSYHFQQTQNIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c20-14-10-16-17(11-15(14)21)25-19(22-16)23-8-6-13(7-9-23)18(24)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2.
What are the key properties of [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone?
[1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone has a molecular weight of 358.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 166321274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).