4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide

C19H19N3O2S2 — CID 24550813

About 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide

4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 24550813) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
• PubChem CID: 24550813
• Molecular Formula: C19H19N3O2S2
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.09
• IUPAC Name: 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
• SMILES: Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1
• InChI: InChI=1S/C19H19N3O2S2/c1-12-3-5-14(6-4-12)19(24)21-10-18(23)20-9-15-7-8-17(26-15)16-11-25-13(2)22-16/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: XSPPSDJWCJTIMO-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide?

The IUPAC name of 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide (CID 24550813) is 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide.

What is the SMILES notation for 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide?

The canonical SMILES for 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1.

What is the InChIKey of 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide?

The InChIKey is XSPPSDJWCJTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12-3-5-14(6-4-12)19(24)21-10-18(23)20-9-15-7-8-17(26-15)16-11-25-13(2)22-16/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24).

What are the key properties of 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide?

4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24550813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).