3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

C17H23N5O2S — CID 37334790

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 37334790) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
• PubChem CID: 37334790
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
• SMILES: Cc1csc(=O)n1CCC(=O)Nc1ccc(N2CCN(C)CC2)nc1
• InChI: InChI=1S/C17H23N5O2S/c1-13-12-25-17(24)22(13)6-5-16(23)19-14-3-4-15(18-11-14)21-9-7-20(2)8-10-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)
• InChIKey: MAAXOIBFKZUXBJ-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?

The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (CID 37334790) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?

The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is Cc1csc(=O)n1CCC(=O)Nc1ccc(N2CCN(C)CC2)nc1.

What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?

The InChIKey is MAAXOIBFKZUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-12-25-17(24)22(13)6-5-16(23)19-14-3-4-15(18-11-14)21-9-7-20(2)8-10-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,23).

What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 37334790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).