2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide

C26H29F2N7O2S2 — CID 68507267

About 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide

2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide (PubChem CID 68507267) has the molecular formula C26H29F2N7O2S2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide
• PubChem CID: 68507267
• Molecular Formula: C26H29F2N7O2S2
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.18
• IUPAC Name: 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide
• SMILES: Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCNC(=O)C(C)NC(=O)C(C)N)c2ccccc2)s1
• InChI: InChI=1S/C26H29F2N7O2S2/c1-15(29)22(36)31-16(2)23(37)30-13-7-12-26(18-8-5-4-6-9-18)35(25-33-32-17(3)38-25)34-24(39-26)20-14-19(27)10-11-21(20)28/h4-6,8-11,14-16H,7,12-13,29H2,1-3H3,(H,30,37)(H,31,36)
• InChIKey: YWOYLPICTPWOFJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 125.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide?

The IUPAC name of 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide (CID 68507267) is 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide?

The canonical SMILES for 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide is Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCNC(=O)C(C)NC(=O)C(C)N)c2ccccc2)s1.

What is the InChIKey of 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide?

The InChIKey is YWOYLPICTPWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2S2/c1-15(29)22(36)31-16(2)23(37)30-13-7-12-26(18-8-5-4-6-9-18)35(25-33-32-17(3)38-25)34-24(39-26)20-14-19(27)10-11-21(20)28/h4-6,8-11,14-16H,7,12-13,29H2,1-3H3,(H,30,37)(H,31,36).

What are the key properties of 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide?

2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide has a molecular weight of 573.70 g/mol, XLogP of 3.64, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 68507267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).