2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide

C18H13ClF2N2O3S — CID 2114849

About 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide

2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide (PubChem CID 2114849) has the molecular formula C18H13ClF2N2O3S and a molecular weight of 410.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
• PubChem CID: 2114849
• Molecular Formula: C18H13ClF2N2O3S
• Molecular Weight: 410.83 g/mol
• Exact Mass: 410.03
• IUPAC Name: 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)c3cc(F)c(F)cc3Cl)n2)c1
• InChI: InChI=1S/C18H13ClF2N2O3S/c1-25-9-3-4-16(26-2)11(5-9)15-8-27-18(22-15)23-17(24)10-6-13(20)14(21)7-12(10)19/h3-8H,1-2H3,(H,22,23,24)
• InChIKey: IYZPTCHVMJXAEM-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.83
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide?

The IUPAC name of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide (CID 2114849) is 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide.

What is the SMILES notation for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide?

The canonical SMILES for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(F)c(F)cc3Cl)n2)c1.

What is the InChIKey of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide?

The InChIKey is IYZPTCHVMJXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S/c1-25-9-3-4-16(26-2)11(5-9)15-8-27-18(22-15)23-17(24)10-6-13(20)14(21)7-12(10)19/h3-8H,1-2H3,(H,22,23,24).

What are the key properties of 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide?

2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide has a molecular weight of 410.83 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide is sourced from PubChem (CID 2114849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).