(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone

C14H15FN2OS — CID 110488584

IUPAC(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C14H15FN2OS/c1-9-4-6-17(7-5-9)14(18)13-16-11-3-2-10(15)8-12(11)19-13/h2-3,8-9H,4-7H2,1H3
InChIKeyLJTMUZUWEWGDEE-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds1

About (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone

(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110488584) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110488584
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C14H15FN2OS/c1-9-4-6-17(7-5-9)14(18)13-16-11-3-2-10(15)8-12(11)19-13/h2-3,8-9H,4-7H2,1H3
InChIKeyLJTMUZUWEWGDEE-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539121
(4aR,8aR)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 9118744
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(2,6-dimethoxyphenyl)-[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]methanone
CID 42641272
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 110488584) is (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LJTMUZUWEWGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-4-6-17(7-5-9)14(18)13-16-11-3-2-10(15)8-12(11)19-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone?
(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110488584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).