3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C19H22N6O2S — CID 30184390

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30184390) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 30184390
• Molecular Formula: C19H22N6O2S
• Molecular Weight: 398.49 g/mol
• Exact Mass: 398.15
• IUPAC Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCn1nnc2ccccc2c1=O)Nc1nc(CN2CCCCC2)cs1
• InChI: InChI=1S/C19H22N6O2S/c26-17(8-11-25-18(27)15-6-2-3-7-16(15)22-23-25)21-19-20-14(13-28-19)12-24-9-4-1-5-10-24/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,21,26)
• InChIKey: AASHYQGEAKSDKY-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.49
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 30184390) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCn1nnc2ccccc2c1=O)Nc1nc(CN2CCCCC2)cs1.

What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is AASHYQGEAKSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c26-17(8-11-25-18(27)15-6-2-3-7-16(15)22-23-25)21-19-20-14(13-28-19)12-24-9-4-1-5-10-24/h2-3,6-7,13H,1,4-5,8-12H2,(H,20,21,26).

What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30184390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).