N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide

C30H35F3N6O4S — CID 11570933

About N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide

N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11570933) has the molecular formula C30H35F3N6O4S and a molecular weight of 632.71 g/mol. Its IUPAC name is N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
• PubChem CID: 11570933
• Molecular Formula: C30H35F3N6O4S
• Molecular Weight: 632.71 g/mol
• Exact Mass: 632.24
• IUPAC Name: N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(N3CCC(O)CC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc(NCCN2CCOCC2)s1
• InChI: InChI=1S/C30H35F3N6O4S/c1-19-2-3-22(17-25(19)37-28(42)26-18-35-29(44-26)34-6-9-38-10-12-43-13-11-38)36-27(41)20-14-21(30(31,32)33)16-23(15-20)39-7-4-24(40)5-8-39/h2-3,14-18,24,40H,4-13H2,1H3,(H,34,35)(H,36,41)(H,37,42)
• InChIKey: WEWIJQKXWNZRNX-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 119.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.71
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide (CID 11570933) is N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCC(O)CC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cnc(NCCN2CCOCC2)s1.

What is the InChIKey of N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?

The InChIKey is WEWIJQKXWNZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N6O4S/c1-19-2-3-22(17-25(19)37-28(42)26-18-35-29(44-26)34-6-9-38-10-12-43-13-11-38)36-27(41)20-14-21(30(31,32)33)16-23(15-20)39-7-4-24(40)5-8-39/h2-3,14-18,24,40H,4-13H2,1H3,(H,34,35)(H,36,41)(H,37,42).

What are the key properties of N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide?

N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 632.71 g/mol, XLogP of 4.68, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11570933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).