2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C20H18ClFN2O2S — CID 46066775

About 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46066775) has the molecular formula C20H18ClFN2O2S and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 46066775
• Molecular Formula: C20H18ClFN2O2S
• Molecular Weight: 404.89 g/mol
• Exact Mass: 404.08
• IUPAC Name: 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
• SMILES: CC(C)NC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1
• InChI: InChI=1S/C20H18ClFN2O2S/c1-12(2)23-19(25)18-11-27-20(24-18)16-7-6-15(9-17(16)21)26-10-13-4-3-5-14(22)8-13/h3-9,11-12H,10H2,1-2H3,(H,23,25)
• InChIKey: IVQDSWHHVKLJLX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.89
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46066775) is 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2Cl)n1.

What is the InChIKey of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is IVQDSWHHVKLJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2S/c1-12(2)23-19(25)18-11-27-20(24-18)16-7-6-15(9-17(16)21)26-10-13-4-3-5-14(22)8-13/h3-9,11-12H,10H2,1-2H3,(H,23,25).

What are the key properties of 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?

2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 404.89 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).