4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C18H21F3N4O3S — CID 78874889

About 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 78874889) has the molecular formula C18H21F3N4O3S and a molecular weight of 430.45 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
• PubChem CID: 78874889
• Molecular Formula: C18H21F3N4O3S
• Molecular Weight: 430.45 g/mol
• Exact Mass: 430.13
• IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
• SMILES: COc1ccc(OC)c(CN2CCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)c1
• InChI: InChI=1S/C18H21F3N4O3S/c1-27-13-3-4-14(28-2)12(9-13)10-24-5-7-25(8-6-24)17(26)23-16-22-15(11-29-16)18(19,20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23,26)
• InChIKey: CEKYUEBGIRODKX-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.45
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 78874889) is 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1ccc(OC)c(CN2CCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)c1.

What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The InChIKey is CEKYUEBGIRODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3S/c1-27-13-3-4-14(28-2)12(9-13)10-24-5-7-25(8-6-24)17(26)23-16-22-15(11-29-16)18(19,20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23,26).

What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 78874889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).