2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole

C20H19FN4S2 — CID 16941609

IUPAC2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4nc5ccc(F)cc5s4)CC3)sc2c1
InChIInChI=1S/C20H19FN4S2/c1-2-13-3-5-15-17(11-13)26-19(22-15)24-7-9-25(10-8-24)20-23-16-6-4-14(21)12-18(16)27-20/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBIMYKKQFJGFKOM-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.93
Rot. Bonds3

About 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole

2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole (PubChem CID 16941609) has the molecular formula C20H19FN4S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
PubChem CID16941609
Molecular FormulaC20H19FN4S2
Molecular Weight398.53 g/mol
Exact Mass398.10
IUPAC Name2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4nc5ccc(F)cc5s4)CC3)sc2c1
InChIInChI=1S/C20H19FN4S2/c1-2-13-3-5-15-17(11-13)26-19(22-15)24-7-9-25(10-8-24)20-23-16-6-4-14(21)12-18(16)27-20/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBIMYKKQFJGFKOM-UHFFFAOYSA-N
XLogP4.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505
2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941572
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7538935
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole
CID 121083428
N-ethyl-4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide
CID 108781518
4,6-difluoro-2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941619
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718
(E)-1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]but-2-en-1-one
CID 108756307

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole (CID 16941609) is 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole is CCc1ccc2nc(N3CCN(c4nc5ccc(F)cc5s4)CC3)sc2c1.
What is the InChIKey of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole?
The InChIKey is BIMYKKQFJGFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S2/c1-2-13-3-5-15-17(11-13)26-19(22-15)24-7-9-25(10-8-24)20-23-16-6-4-14(21)12-18(16)27-20/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole?
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole has a molecular weight of 398.53 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 16941609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).