N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

C20H25F2N5O2S — CID 30736458

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 30736458) has the molecular formula C20H25F2N5O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
• PubChem CID: 30736458
• Molecular Formula: C20H25F2N5O2S
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
• SMILES: CC(C)NC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1
• InChI: InChI=1S/C20H25F2N5O2S/c1-13(2)23-18(28)10-26-5-7-27(8-6-26)11-19(29)25-20-24-17(12-30-20)14-3-4-15(21)16(22)9-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,23,28)(H,24,25,29)
• InChIKey: RUOPXLUIIFLCLR-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
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-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide (CID 30736458) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1.

What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The InChIKey is RUOPXLUIIFLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2S/c1-13(2)23-18(28)10-26-5-7-27(8-6-26)11-19(29)25-20-24-17(12-30-20)14-3-4-15(21)16(22)9-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,23,28)(H,24,25,29).

What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 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-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).