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

C26H26F2N4O3S — CID 164786395

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(F)cc(F)c1OCC(C)C
InChIInChI=1S/C26H26F2N4O3S/c1-13(2)12-35-23-18(9-17(27)10-20(23)28)14(3)31-24(33)19-7-16(11-30-25(19)34-4)15-5-6-21-22(8-15)36-26(29)32-21/h5-11,13-14H,12H2,1-4H3,(H2,29,32)(H,31,33)
InChIKeyDJRAQEJTWZZPNH-UHFFFAOYSA-N
MW512.58 g/mol
LogP5.75
Rot. Bonds8

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

5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 164786395) has the molecular formula C26H26F2N4O3S and a molecular weight of 512.58 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID164786395
Molecular FormulaC26H26F2N4O3S
Molecular Weight512.58 g/mol
Exact Mass512.17
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(F)cc(F)c1OCC(C)C
InChIInChI=1S/C26H26F2N4O3S/c1-13(2)12-35-23-18(9-17(27)10-20(23)28)14(3)31-24(33)19-7-16(11-30-25(19)34-4)15-5-6-21-22(8-15)36-26(29)32-21/h5-11,13-14H,12H2,1-4H3,(H2,29,32)(H,31,33)
InChIKeyDJRAQEJTWZZPNH-UHFFFAOYSA-N
XLogP5.75
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-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

Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 16011389
2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86766336
US11306081, Example 003
CID 137408477
US11306081, Example 015
CID 137419170
US11306081, Example 078
CID 142516319
US11299488, Example 2
CID 146586010
US11306081, Example 025
CID 156381129
US11306081, Example 146
CID 156381140
US11306081, Example 005
CID 164607382
US11306081, Example 024
CID 164607386
US11306081, Example 031
CID 164607388
US11306081, Example 032
CID 164607389

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide (CID 164786395) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(F)cc(F)c1OCC(C)C.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is DJRAQEJTWZZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3S/c1-13(2)12-35-23-18(9-17(27)10-20(23)28)14(3)31-24(33)19-7-16(11-30-25(19)34-4)15-5-6-21-22(8-15)36-26(29)32-21/h5-11,13-14H,12H2,1-4H3,(H2,29,32)(H,31,33).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 512.58 g/mol, XLogP of 5.75, 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-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 164786395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).