4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C18H23N3O2S2 — CID 46603301

About 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 46603301) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
• PubChem CID: 46603301
• Molecular Formula: C18H23N3O2S2
• Molecular Weight: 377.54 g/mol
• Exact Mass: 377.12
• IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
• SMILES: CCCNC(=O)C(C)NC(=O)c1ccc(SCc2csc(C)n2)cc1
• InChI: InChI=1S/C18H23N3O2S2/c1-4-9-19-17(22)12(2)20-18(23)14-5-7-16(8-6-14)25-11-15-10-24-13(3)21-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,19,22)(H,20,23)
• InChIKey: DSBOHNKJMDFPQF-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.54
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?

The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 46603301) is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?

The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(SCc2csc(C)n2)cc1.

What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?

The InChIKey is DSBOHNKJMDFPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-4-9-19-17(22)12(2)20-18(23)14-5-7-16(8-6-14)25-11-15-10-24-13(3)21-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,19,22)(H,20,23).

What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 377.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46603301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).