N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

C21H24N6O3S — CID 53368793

About N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 53368793) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
• PubChem CID: 53368793
• Molecular Formula: C21H24N6O3S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.16
• IUPAC Name: N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
• SMILES: COc1ccc2nc(NC(=O)C(C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1
• InChI: InChI=1S/C21H24N6O3S/c1-14(19(28)25-20-24-16-7-6-15(30-2)13-17(16)31-20)23-21(29)27-11-9-26(10-12-27)18-5-3-4-8-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)(H,24,25,28)
• InChIKey: YZKIGSYTLZLJMF-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The IUPAC name of N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 53368793) is N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

What is the SMILES notation for N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The canonical SMILES for N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is COc1ccc2nc(NC(=O)C(C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1.

What is the InChIKey of N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

The InChIKey is YZKIGSYTLZLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-14(19(28)25-20-24-16-7-6-15(30-2)13-17(16)31-20)23-21(29)27-11-9-26(10-12-27)18-5-3-4-8-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,23,29)(H,24,25,28).

What are the key properties of N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?

N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 53368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).