4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide

C26H32FN3O2S — CID 158724150

About 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide

4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 158724150) has the molecular formula C26H32FN3O2S and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 158724150
• Molecular Formula: C26H32FN3O2S
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.22
• IUPAC Name: 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cc(F)cc(C(=O)Nc2cc3sc(C4CCC(C(C)C)CC4)nc3cc2C(C)(C)O)n1
• InChI: InChI=1S/C26H32FN3O2S/c1-14(2)16-6-8-17(9-7-16)25-30-21-12-19(26(4,5)32)20(13-23(21)33-25)29-24(31)22-11-18(27)10-15(3)28-22/h10-14,16-17,32H,6-9H2,1-5H3,(H,29,31)
• InChIKey: IKGYWJBAKHLEAF-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide (CID 158724150) is 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide is Cc1cc(F)cc(C(=O)Nc2cc3sc(C4CCC(C(C)C)CC4)nc3cc2C(C)(C)O)n1.

What is the InChIKey of 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is IKGYWJBAKHLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2S/c1-14(2)16-6-8-17(9-7-16)25-30-21-12-19(26(4,5)32)20(13-23(21)33-25)29-24(31)22-11-18(27)10-15(3)28-22/h10-14,16-17,32H,6-9H2,1-5H3,(H,29,31).

What are the key properties of 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[5-(2-hydroxypropan-2-yl)-2-(4-propan-2-ylcyclohexyl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 158724150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).