4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole

C19H17F2N5S — CID 158073433

IUPAC4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C19H17F2N5S/c1-25-10-13-6-11(7-14(20)17(13)24-25)12-8-15(21)18-16(9-12)27-19(23-18)26-4-2-22-3-5-26/h6-10,22H,2-5H2,1H3
InChIKeyZAKQTMMYGXAEKZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.54
Rot. Bonds2

About 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole

4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole (PubChem CID 158073433) has the molecular formula C19H17F2N5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole
PubChem CID158073433
Molecular FormulaC19H17F2N5S
Molecular Weight385.44 g/mol
Exact Mass385.12
IUPAC Name4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C19H17F2N5S/c1-25-10-13-6-11(7-14(20)17(13)24-25)12-8-15(21)18-16(9-12)27-19(23-18)26-4-2-22-3-5-26/h6-10,22H,2-5H2,1H3
InChIKeyZAKQTMMYGXAEKZ-UHFFFAOYSA-N
XLogP3.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole (CID 158073433) is 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole is Cn1cc2cc(-c3cc(F)c4nc(N5CCNCC5)sc4c3)cc(F)c2n1.
What is the InChIKey of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole?
The InChIKey is ZAKQTMMYGXAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5S/c1-25-10-13-6-11(7-14(20)17(13)24-25)12-8-15(21)18-16(9-12)27-19(23-18)26-4-2-22-3-5-26/h6-10,22H,2-5H2,1H3.
What are the key properties of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole?
4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole has a molecular weight of 385.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperazin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 158073433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).