[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone

C19H16F2N2OS — CID 1430879

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H16F2N2OS/c20-13-4-3-5-14(21)17(13)19(24)23-10-8-12(9-11-23)18-22-15-6-1-2-7-16(15)25-18/h1-7,12H,8-11H2
InChIKeyZWNTZFDXFZIBAC-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.59
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 1430879) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID1430879
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H16F2N2OS/c20-13-4-3-5-14(21)17(13)19(24)23-10-8-12(9-11-23)18-22-15-6-1-2-7-16(15)25-18/h1-7,12H,8-11H2
InChIKeyZWNTZFDXFZIBAC-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone
CID 17499712
N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 31155313
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429148
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 25485731
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 8751869
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[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]-(4-propan-2-ylphenyl)methanone
CID 9218722
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 9218779
4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 134061805

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone (CID 1430879) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is ZWNTZFDXFZIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c20-13-4-3-5-14(21)17(13)19(24)23-10-8-12(9-11-23)18-22-15-6-1-2-7-16(15)25-18/h1-7,12H,8-11H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 358.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 1430879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).