N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide

C20H18Cl2N2O4S — CID 112766840

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide (PubChem CID 112766840) has the molecular formula C20H18Cl2N2O4S and a molecular weight of 453.35 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
• PubChem CID: 112766840
• Molecular Formula: C20H18Cl2N2O4S
• Molecular Weight: 453.35 g/mol
• Exact Mass: 452.04
• IUPAC Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(OC)c1OC
• InChI: InChI=1S/C20H18Cl2N2O4S/c1-26-16-7-5-14(17(27-2)18(16)28-3)19(25)24-20-23-10-13(29-20)9-11-8-12(21)4-6-15(11)22/h4-8,10H,9H2,1-3H3,(H,23,24,25)
• InChIKey: PFGOHUBMAVJNOD-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.35
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?

The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide (CID 112766840) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide.

What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?

The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(OC)c1OC.

What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?

The InChIKey is PFGOHUBMAVJNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S/c1-26-16-7-5-14(17(27-2)18(16)28-3)19(25)24-20-23-10-13(29-20)9-11-8-12(21)4-6-15(11)22/h4-8,10H,9H2,1-3H3,(H,23,24,25).

What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide?

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 453.35 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 112766840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).