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

C21H21FN2O2S — CID 46068064

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

2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46068064) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 46068064
• Molecular Formula: C21H21FN2O2S
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.13
• IUPAC Name: 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
• SMILES: CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1
• InChI: InChI=1S/C21H21FN2O2S/c1-14(2)24(3)21(25)19-13-27-20(23-19)16-7-5-9-18(11-16)26-12-15-6-4-8-17(22)10-15/h4-11,13-14H,12H2,1-3H3
• InChIKey: GSGLLJKVMNCMEO-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46068064) is 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(C)C(=O)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1.

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

The InChIKey is GSGLLJKVMNCMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14(2)24(3)21(25)19-13-27-20(23-19)16-7-5-9-18(11-16)26-12-15-6-4-8-17(22)10-15/h4-11,13-14H,12H2,1-3H3.

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

2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).