N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide

C25H23F3N6OS — CID 70992744

About N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide

N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide (PubChem CID 70992744) has the molecular formula C25H23F3N6OS and a molecular weight of 512.56 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide
• PubChem CID: 70992744
• Molecular Formula: C25H23F3N6OS
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.16
• IUPAC Name: N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide
• SMILES: CN1CCN(Cc2ccc(NC(=O)c3cnc(-c4cncc5cccnc45)s3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C25H23F3N6OS/c1-33-7-9-34(10-8-33)15-17-4-5-18(11-20(17)25(26,27)28)32-23(35)21-14-31-24(36-21)19-13-29-12-16-3-2-6-30-22(16)19/h2-6,11-14H,7-10,15H2,1H3,(H,32,35)
• InChIKey: NHGWMJALFYMLBB-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide (CID 70992744) is N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3cnc(-c4cncc5cccnc45)s3)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide?

The InChIKey is NHGWMJALFYMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6OS/c1-33-7-9-34(10-8-33)15-17-4-5-18(11-20(17)25(26,27)28)32-23(35)21-14-31-24(36-21)19-13-29-12-16-3-2-6-30-22(16)19/h2-6,11-14H,7-10,15H2,1H3,(H,32,35).

What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide?

N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(1,6-naphthyridin-8-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70992744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).