5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide

C25H24F2N4O3S — CID 155146833

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C
InChIInChI=1S/C25H24F2N4O3S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyYTDWISVABBCCJK-UHFFFAOYSA-N
MW498.56 g/mol
LogP5.19
Rot. Bonds8

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155146833) has the molecular formula C25H24F2N4O3S and a molecular weight of 498.56 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155146833
Molecular FormulaC25H24F2N4O3S
Molecular Weight498.56 g/mol
Exact Mass498.15
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C
InChIInChI=1S/C25H24F2N4O3S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32)
InChIKeyYTDWISVABBCCJK-UHFFFAOYSA-N
XLogP5.19
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155146833) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is YTDWISVABBCCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155146833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).