2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

C17H15ClFN3OS2 — CID 41340812

IUPAC2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)s1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C17H15ClFN3OS2/c18-15-4-2-12(24-15)10-16(23)21-5-7-22(8-6-21)17-20-13-3-1-11(19)9-14(13)25-17/h1-4,9H,5-8,10H2
InChIKeyCHISWBAAFQXBKB-UHFFFAOYSA-N
MW395.91 g/mol
LogP4.04
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 41340812) has the molecular formula C17H15ClFN3OS2 and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID41340812
Molecular FormulaC17H15ClFN3OS2
Molecular Weight395.91 g/mol
Exact Mass395.03
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)s1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C17H15ClFN3OS2/c18-15-4-2-12(24-15)10-16(23)21-5-7-22(8-6-21)17-20-13-3-1-11(19)9-14(13)25-17/h1-4,9H,5-8,10H2
InChIKeyCHISWBAAFQXBKB-UHFFFAOYSA-N
XLogP4.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfanylphenyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41139527
1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 7292594
3-(benzenesulfonyl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41115492
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
(6-chloropyrazin-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 56947198
(2,4-dichlorophenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539124
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonylbutan-1-one
CID 41274586
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597374
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 41126493
(Z)-3-(1,3-benzodioxol-5-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 43982287

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (CID 41340812) is 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)s1)N1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CHISWBAAFQXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS2/c18-15-4-2-12(24-15)10-16(23)21-5-7-22(8-6-21)17-20-13-3-1-11(19)9-14(13)25-17/h1-4,9H,5-8,10H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 395.91 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41340812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).