2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C22H20F2N2O3S — CID 46066606

About 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066606) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 46066606
• Molecular Formula: C22H20F2N2O3S
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.12
• IUPAC Name: 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCC1CCCO1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1
• InChI: InChI=1S/C22H20F2N2O3S/c23-18-7-6-14(9-19(18)24)12-29-16-4-1-3-15(10-16)22-26-20(13-30-22)21(27)25-11-17-5-2-8-28-17/h1,3-4,6-7,9-10,13,17H,2,5,8,11-12H2,(H,25,27)
• InChIKey: VCJGQYBSBZUJJO-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46066606) is 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCCO1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1.

What is the InChIKey of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is VCJGQYBSBZUJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c23-18-7-6-14(9-19(18)24)12-29-16-4-1-3-15(10-16)22-26-20(13-30-22)21(27)25-11-17-5-2-8-28-17/h1,3-4,6-7,9-10,13,17H,2,5,8,11-12H2,(H,25,27).

What are the key properties of 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).