[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone

C20H16F2N4OS — CID 43983179

IUPAC[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C20H16F2N4OS/c21-12-9-15(22)18-17(10-12)28-20(24-18)26-7-5-25(6-8-26)19(27)14-11-23-16-4-2-1-3-13(14)16/h1-4,9-11,23H,5-8H2
InChIKeyOGHBDHSLCHHTOT-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.02
Rot. Bonds2

About [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone

[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 43983179) has the molecular formula C20H16F2N4OS and a molecular weight of 398.44 g/mol. Its IUPAC name is [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID43983179
Molecular FormulaC20H16F2N4OS
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C20H16F2N4OS/c21-12-9-15(22)18-17(10-12)28-20(24-18)26-7-5-25(6-8-26)19(27)14-11-23-16-4-2-1-3-13(14)16/h1-4,9-11,23H,5-8H2
InChIKeyOGHBDHSLCHHTOT-UHFFFAOYSA-N
XLogP4.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 43983375
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 41028399
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 41116447
1-[4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 7539640
[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 138384229
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 16848847
1-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 43982569
4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 7539639
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172898649
1-[3-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 41116420
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 43983197
(2-chlorophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539567

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone (CID 43983179) is [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1.
What is the InChIKey of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is OGHBDHSLCHHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS/c21-12-9-15(22)18-17(10-12)28-20(24-18)26-7-5-25(6-8-26)19(27)14-11-23-16-4-2-1-3-13(14)16/h1-4,9-11,23H,5-8H2.
What are the key properties of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 398.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 43983179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).