1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C20H16FN3O2S — CID 8718398

IUPAC1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C20H16FN3O2S/c21-14-5-3-7-17-18(14)22-20(27-17)24-10-8-23(9-11-24)19(25)16-12-13-4-1-2-6-15(13)26-16/h1-7,12H,8-11H2
InChIKeyPCNUSZQEZGZBMH-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.14
Rot. Bonds2

About 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 8718398) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID8718398
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C20H16FN3O2S/c21-14-5-3-7-17-18(14)22-20(27-17)24-10-8-23(9-11-24)19(25)16-12-13-4-1-2-6-15(13)26-16/h1-7,12H,8-11H2
InChIKeyPCNUSZQEZGZBMH-UHFFFAOYSA-N
XLogP4.14
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539567
1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 7539562
[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 7539565
3-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 25319394
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
(5-chloro-2-methoxyphenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982542
(2-ethoxynaphthalen-1-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982544
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501
[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 7539613
3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 7577702
2-(4-chlorophenyl)sulfanyl-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41116390

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 8718398) is 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(c2nc3c(F)cccc3s2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is PCNUSZQEZGZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-14-5-3-7-17-18(14)22-20(27-17)24-10-8-23(9-11-24)19(25)16-12-13-4-1-2-6-15(13)26-16/h1-7,12H,8-11H2.
What are the key properties of 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 8718398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).