N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H26F3N3O2S — CID 160780388

IUPACN-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(C(C)C)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N3O2S/c1-13(2)14-7-9-15(10-8-14)23-30-18-11-19(32-3)17(12-20(18)33-23)29-22(31)16-5-4-6-21(28-16)24(25,26)27/h4-6,11-15H,7-10H2,1-3H3,(H,29,31)
InChIKeySAMOVGZRZWGUNB-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.90
Rot. Bonds5

About N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 160780388) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID160780388
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC NameN-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nc(C3CCC(C(C)C)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N3O2S/c1-13(2)14-7-9-15(10-8-14)23-30-18-11-19(32-3)17(12-20(18)33-23)29-22(31)16-5-4-6-21(28-16)24(25,26)27/h4-6,11-15H,7-10H2,1-3H3,(H,29,31)
InChIKeySAMOVGZRZWGUNB-UHFFFAOYSA-N
XLogP6.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide 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

N-[2-[3-(iodomethyl)cyclobutyl]-5-methoxy-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156479
N-[5-methoxy-2-(4-propan-2-ylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 156530165
N-[5-methoxy-2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 156530561
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 157030410
N-[5-methoxy-2-(4-methylsulfanylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167191884
N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylpiperidin-1-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 156530296
N-[5-methoxy-2-(4-methylcyclohexyl)-1,3-benzothiazol-6-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 164566846
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 156794494
N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-5-methoxy-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167191849
N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-2-methylpyrimidine-4-carboxamide
CID 156530239
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 160780388) is N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nc(C3CCC(C(C)C)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SAMOVGZRZWGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c1-13(2)14-7-9-15(10-8-14)23-30-18-11-19(32-3)17(12-20(18)33-23)29-22(31)16-5-4-6-21(28-16)24(25,26)27/h4-6,11-15H,7-10H2,1-3H3,(H,29,31).
What are the key properties of N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 160780388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).