N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

C22H25N7O2S — CID 95395075

About N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 95395075) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
• PubChem CID: 95395075
• Molecular Formula: C22H25N7O2S
• Molecular Weight: 451.56 g/mol
• Exact Mass: 451.18
• IUPAC Name: N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
• SMILES: C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(Cc2ccccc2)s1
• InChI: InChI=1S/C22H25N7O2S/c1-16(20(30)25-21-27-26-19(32-21)15-17-7-3-2-4-8-17)24-22(31)29-13-11-28(12-14-29)18-9-5-6-10-23-18/h2-10,16H,11-15H2,1H3,(H,24,31)(H,25,27,30)/t16-/m1/s1
• InChIKey: UVJLRHFUJPTVHV-MRXNPFEDSA-N
• XLogP: 2.38
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.56
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The IUPAC name of N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 95395075) is N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The canonical SMILES for N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(Cc2ccccc2)s1.

What is the InChIKey of N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The InChIKey is UVJLRHFUJPTVHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-16(20(30)25-21-27-26-19(32-21)15-17-7-3-2-4-8-17)24-22(31)29-13-11-28(12-14-29)18-9-5-6-10-23-18/h2-10,16H,11-15H2,1H3,(H,24,31)(H,25,27,30)/t16-/m1/s1.

What are the key properties of N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 451.56 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 95395075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).