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

C20H18F2N4S — CID 152593383

IUPAC4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C20H18F2N4S/c1-26-10-14-6-12(7-15(21)18(14)25-26)13-8-16(22)19-17(9-13)27-20(24-19)11-2-4-23-5-3-11/h6-11,23H,2-5H2,1H3
InChIKeyYVYGVFARQTUKLS-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.60
Rot. Bonds2

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

4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 152593383) has the molecular formula C20H18F2N4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID152593383
Molecular FormulaC20H18F2N4S
Molecular Weight384.46 g/mol
Exact Mass384.12
IUPAC Name4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C20H18F2N4S/c1-26-10-14-6-12(7-15(21)18(14)25-26)13-8-16(22)19-17(9-13)27-20(24-19)11-2-4-23-5-3-11/h6-11,23H,2-5H2,1H3
InChIKeyYVYGVFARQTUKLS-UHFFFAOYSA-N
XLogP4.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (CID 152593383) is 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is Cn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(F)c2n1.
What is the InChIKey of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is YVYGVFARQTUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4S/c1-26-10-14-6-12(7-15(21)18(14)25-26)13-8-16(22)19-17(9-13)27-20(24-19)11-2-4-23-5-3-11/h6-11,23H,2-5H2,1H3.
What are the key properties of 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 384.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 152593383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).