N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H18F2N4O3S2 — CID 24596906

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 24596906) has the molecular formula C22H18F2N4O3S2 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 24596906
• Molecular Formula: C22H18F2N4O3S2
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.08
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)n2)s1
• InChI: InChI=1S/C22H18F2N4O3S2/c1-12(29)25-9-13-5-6-18(33-13)16-11-32-22(27-16)28-19(30)7-8-20-26-10-17(31-20)21-14(23)3-2-4-15(21)24/h2-6,10-11H,7-9H2,1H3,(H,25,29)(H,27,28,30)
• InChIKey: DPXBGHCFPKSBSA-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 24596906) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)n2)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is DPXBGHCFPKSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3S2/c1-12(29)25-9-13-5-6-18(33-13)16-11-32-22(27-16)28-19(30)7-8-20-26-10-17(31-20)21-14(23)3-2-4-15(21)24/h2-6,10-11H,7-9H2,1H3,(H,25,29)(H,27,28,30).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 488.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24596906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).