6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C24H29N5S — CID 151426223

IUPAC6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27)
InChIKeyPBOKZSRCQRUJNW-UHFFFAOYSA-N
MW419.60 g/mol
LogP5.59
Rot. Bonds3

About 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 151426223) has the molecular formula C24H29N5S and a molecular weight of 419.60 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID151426223
Molecular FormulaC24H29N5S
Molecular Weight419.60 g/mol
Exact Mass419.21
IUPAC Name6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27)
InChIKeyPBOKZSRCQRUJNW-UHFFFAOYSA-N
XLogP5.59
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 151426223) is 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is PBOKZSRCQRUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27).
What are the key properties of 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 419.60 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 151426223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).