N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide

C23H28N6OS2 — CID 144630729

About N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide

N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide (PubChem CID 144630729) has the molecular formula C23H28N6OS2 and a molecular weight of 468.65 g/mol. Its IUPAC name is N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide
• PubChem CID: 144630729
• Molecular Formula: C23H28N6OS2
• Molecular Weight: 468.65 g/mol
• Exact Mass: 468.18
• IUPAC Name: N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide
• SMILES: C/C=C\c1c(C)cccc1CC(=O)Nc1nnc(C2CCCC(c3nnc(NC)s3)C2)s1
• InChI: InChI=1S/C23H28N6OS2/c1-4-7-18-14(2)8-5-9-15(18)13-19(30)25-23-29-27-21(32-23)17-11-6-10-16(12-17)20-26-28-22(24-3)31-20/h4-5,7-9,16-17H,6,10-13H2,1-3H3,(H,24,28)(H,25,29,30)/b7-4-
• InChIKey: IGJIZTPEWULWOL-DAXSKMNVSA-N
• XLogP: 5.40
• TPSA: 92.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.65
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide?

The IUPAC name of N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide (CID 144630729) is N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide.

What is the SMILES notation for N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide?

The canonical SMILES for N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide is C/C=C\c1c(C)cccc1CC(=O)Nc1nnc(C2CCCC(c3nnc(NC)s3)C2)s1.

What is the InChIKey of N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide?

The InChIKey is IGJIZTPEWULWOL-DAXSKMNVSA-N. The full InChI is InChI=1S/C23H28N6OS2/c1-4-7-18-14(2)8-5-9-15(18)13-19(30)25-23-29-27-21(32-23)17-11-6-10-16(12-17)20-26-28-22(24-3)31-20/h4-5,7-9,16-17H,6,10-13H2,1-3H3,(H,24,28)(H,25,29,30)/b7-4-.

What are the key properties of N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide?

N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide has a molecular weight of 468.65 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 144630729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).