4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H16F2N4O2S2 — CID 19469810

About 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 19469810) has the molecular formula C20H16F2N4O2S2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 19469810
• Molecular Formula: C20H16F2N4O2S2
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.07
• IUPAC Name: 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: Cc1c(-c2csc(NC(=O)c3cc(COc4ccc(F)cc4F)cs3)n2)cnn1C
• InChI: InChI=1S/C20H16F2N4O2S2/c1-11-14(7-23-26(11)2)16-10-30-20(24-16)25-19(27)18-5-12(9-29-18)8-28-17-4-3-13(21)6-15(17)22/h3-7,9-10H,8H2,1-2H3,(H,24,25,27)
• InChIKey: LNNKXHRHNBGQEP-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 19469810) is 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1c(-c2csc(NC(=O)c3cc(COc4ccc(F)cc4F)cs3)n2)cnn1C.

What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is LNNKXHRHNBGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S2/c1-11-14(7-23-26(11)2)16-10-30-20(24-16)25-19(27)18-5-12(9-29-18)8-28-17-4-3-13(21)6-15(17)22/h3-7,9-10H,8H2,1-2H3,(H,24,25,27).

What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19469810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).