N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

C20H20F2N4OS2 — CID 31041636

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 31041636) has the molecular formula C20H20F2N4OS2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
• PubChem CID: 31041636
• Molecular Formula: C20H20F2N4OS2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.10
• IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(Cc2cccs2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1
• InChI: InChI=1S/C20H20F2N4OS2/c21-16-4-3-14(10-17(16)22)18-13-29-20(23-18)24-19(27)12-26-7-5-25(6-8-26)11-15-2-1-9-28-15/h1-4,9-10,13H,5-8,11-12H2,(H,23,24,27)
• InChIKey: VBQJNWPEXDZZIY-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide (CID 31041636) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccs2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1.

What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?

The InChIKey is VBQJNWPEXDZZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS2/c21-16-4-3-14(10-17(16)22)18-13-29-20(23-18)24-19(27)12-26-7-5-25(6-8-26)11-15-2-1-9-28-15/h1-4,9-10,13H,5-8,11-12H2,(H,23,24,27).

What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide?

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31041636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).