6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C26H32FN5S — CID 151932049

IUPAC6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C26H32FN5S/c1-15-8-16(9-18-14-31(6)29-22(15)18)17-10-20(27)23-21(11-17)33-24(28-23)32(7)19-12-25(2,3)30-26(4,5)13-19/h8-11,14,19,30H,12-13H2,1-7H3
InChIKeySYZQGJJHXUEKPS-UHFFFAOYSA-N
MW465.64 g/mol
LogP6.04
Rot. Bonds3

About 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 151932049) has the molecular formula C26H32FN5S and a molecular weight of 465.64 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID151932049
Molecular FormulaC26H32FN5S
Molecular Weight465.64 g/mol
Exact Mass465.24
IUPAC Name6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C26H32FN5S/c1-15-8-16(9-18-14-31(6)29-22(15)18)17-10-20(27)23-21(11-17)33-24(28-23)32(7)19-12-25(2,3)30-26(4,5)13-19/h8-11,14,19,30H,12-13H2,1-7H3
InChIKeySYZQGJJHXUEKPS-UHFFFAOYSA-N
XLogP6.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 151932049) is 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is Cc1cc(-c2cc(F)c3nc(N(C)C4CC(C)(C)NC(C)(C)C4)sc3c2)cc2cn(C)nc12.
What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is SYZQGJJHXUEKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5S/c1-15-8-16(9-18-14-31(6)29-22(15)18)17-10-20(27)23-21(11-17)33-24(28-23)32(7)19-12-25(2,3)30-26(4,5)13-19/h8-11,14,19,30H,12-13H2,1-7H3.
What are the key properties of 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 465.64 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylindazol-5-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 151932049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).