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

C20H19FN4S — CID 150087766

IUPAC4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H19FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-3,8-12,22H,4-7H2,1H3
InChIKeyDSOXHFKFVCJRAI-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.46
Rot. Bonds2

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

4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 150087766) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID150087766
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C20H19FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-3,8-12,22H,4-7H2,1H3
InChIKeyDSOXHFKFVCJRAI-UHFFFAOYSA-N
XLogP4.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (CID 150087766) is 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is Cn1cc2cc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is DSOXHFKFVCJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-25-11-15-8-13(2-3-17(15)24-25)14-9-16(21)19-18(10-14)26-20(23-19)12-4-6-22-7-5-12/h2-3,8-12,22H,4-7H2,1H3.
What are the key properties of 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 366.47 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 150087766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).