N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H18N4O3S3 — CID 27287507

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27287507) has the molecular formula C21H18N4O3S3 and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 27287507
• Molecular Formula: C21H18N4O3S3
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.05
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4cscn4)c3)n2)s1
• InChI: InChI=1S/C21H18N4O3S3/c1-13(26)22-8-17-5-6-19(31-17)18-11-30-21(24-18)25-20(27)14-3-2-4-16(7-14)28-9-15-10-29-12-23-15/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H,24,25,27)
• InChIKey: UQDHJSYNIICMAV-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27287507) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4cscn4)c3)n2)s1.

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

The InChIKey is UQDHJSYNIICMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S3/c1-13(26)22-8-17-5-6-19(31-17)18-11-30-21(24-18)25-20(27)14-3-2-4-16(7-14)28-9-15-10-29-12-23-15/h2-7,10-12H,8-9H2,1H3,(H,22,26)(H,24,25,27).

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

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 470.60 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27287507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).