4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C18H17N3O4S2 — CID 24597199

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24597199) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 24597199
• Molecular Formula: C18H17N3O4S2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.07
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1OCC(N)=O
• InChI: InChI=1S/C18H17N3O4S2/c1-10-3-6-15(27-10)12-9-26-18(20-12)21-17(23)11-4-5-13(14(7-11)24-2)25-8-16(19)22/h3-7,9H,8H2,1-2H3,(H2,19,22)(H,20,21,23)
• InChIKey: BPCLARMWIGRLJD-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 103.54 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	403.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 24597199) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)ccc1OCC(N)=O.

What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is BPCLARMWIGRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-10-3-6-15(27-10)12-9-26-18(20-12)21-17(23)11-4-5-13(14(7-11)24-2)25-8-16(19)22/h3-7,9H,8H2,1-2H3,(H2,19,22)(H,20,21,23).

What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24597199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).