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

C18H18N4O3S2 — CID 121094418

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

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 121094418) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
• PubChem CID: 121094418
• Molecular Formula: C18H18N4O3S2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.08
• IUPAC Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
• SMILES: CNC(=O)Cc1csc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)n1
• InChI: InChI=1S/C18H18N4O3S2/c1-11-9-26-16(20-11)8-25-14-5-3-12(4-6-14)17(24)22-18-21-13(10-27-18)7-15(23)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)(H,21,22,24)
• InChIKey: PZENSHBMLGZPQC-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 121094418) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

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

The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is CNC(=O)Cc1csc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)n1.

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

The InChIKey is PZENSHBMLGZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-11-9-26-16(20-11)8-25-14-5-3-12(4-6-14)17(24)22-18-21-13(10-27-18)7-15(23)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)(H,21,22,24).

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

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 121094418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).