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

C25H31N5S — CID 152719069

IUPACN-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H31N5S/c1-24(2)13-19(14-25(3,4)28-24)30(6)23-26-21-10-8-17(12-22(21)31-23)16-7-9-20-18(11-16)15-29(5)27-20/h7-12,15,19,28H,13-14H2,1-6H3
InChIKeyZVFPXBGDBFBROB-UHFFFAOYSA-N
MW433.63 g/mol
LogP5.60
Rot. Bonds3

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

N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 152719069) has the molecular formula C25H31N5S and a molecular weight of 433.63 g/mol. Its IUPAC name is N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID152719069
Molecular FormulaC25H31N5S
Molecular Weight433.63 g/mol
Exact Mass433.23
IUPAC NameN-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H31N5S/c1-24(2)13-19(14-25(3,4)28-24)30(6)23-26-21-10-8-17(12-22(21)31-23)16-7-9-20-18(11-16)15-29(5)27-20/h7-12,15,19,28H,13-14H2,1-6H3
InChIKeyZVFPXBGDBFBROB-UHFFFAOYSA-N
XLogP5.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 151426223
6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158459718
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 150652188
N-methyl-6-(2-methylindazol-5-yl)-N-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-amine;hydrochloride
CID 153383564
2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
CID 151104199
3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 150928931
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153383264
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037
N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 151617655
5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 153383545
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 150126397
7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 156888704

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 152719069) is N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3ccc4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ZVFPXBGDBFBROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5S/c1-24(2)13-19(14-25(3,4)28-24)30(6)23-26-21-10-8-17(12-22(21)31-23)16-7-9-20-18(11-16)15-29(5)27-20/h7-12,15,19,28H,13-14H2,1-6H3.
What are the key properties of N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 433.63 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 152719069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).