3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C19H15Cl2N3O3S — CID 112821673

About 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 112821673) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
• PubChem CID: 112821673
• Molecular Formula: C19H15Cl2N3O3S
• Molecular Weight: 436.32 g/mol
• Exact Mass: 435.02
• IUPAC Name: 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
• SMILES: COc1ccccc1-c1csc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n1
• InChI: InChI=1S/C19H15Cl2N3O3S/c1-27-16-5-3-2-4-12(16)15-10-28-19(23-15)24-17(25)9-22-18(26)11-6-7-13(20)14(21)8-11/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25)
• InChIKey: QPOQMDODPXKROE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.32
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 112821673) is 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is COc1ccccc1-c1csc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n1.

What is the InChIKey of 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

The InChIKey is QPOQMDODPXKROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-27-16-5-3-2-4-12(16)15-10-28-19(23-15)24-17(25)9-22-18(26)11-6-7-13(20)14(21)8-11/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25).

What are the key properties of 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 436.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112821673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).