N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

C26H30F3N5S — CID 151572935

IUPACN-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3cc(C(F)(F)F)c4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H30F3N5S/c1-24(2)12-18(13-25(3,4)32-24)34(6)23-30-20-8-7-15(11-21(20)35-23)16-9-17-14-33(5)31-22(17)19(10-16)26(27,28)29/h7-11,14,18,32H,12-13H2,1-6H3
InChIKeyQEVJLOCIWZULKC-UHFFFAOYSA-N
MW501.62 g/mol
LogP6.61
Rot. Bonds3

About N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine

N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 151572935) has the molecular formula C26H30F3N5S and a molecular weight of 501.62 g/mol. Its IUPAC name is N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID151572935
Molecular FormulaC26H30F3N5S
Molecular Weight501.62 g/mol
Exact Mass501.22
IUPAC NameN-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3cc(C(F)(F)F)c4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H30F3N5S/c1-24(2)12-18(13-25(3,4)32-24)34(6)23-30-20-8-7-15(11-21(20)35-23)16-9-17-14-33(5)31-22(17)19(10-16)26(27,28)29/h7-11,14,18,32H,12-13H2,1-6H3
InChIKeyQEVJLOCIWZULKC-UHFFFAOYSA-N
XLogP6.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine (CID 151572935) is N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-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-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3cc(C(F)(F)F)c4nn(C)cc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QEVJLOCIWZULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5S/c1-24(2)12-18(13-25(3,4)32-24)34(6)23-30-20-8-7-15(11-21(20)35-23)16-9-17-14-33(5)31-22(17)19(10-16)26(27,28)29/h7-11,14,18,32H,12-13H2,1-6H3.
What are the key properties of N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine?
N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 501.62 g/mol, XLogP of 6.61, 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-methyl-7-(trifluoromethyl)indazol-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 151572935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).