N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

C21H19FN4O2S2 — CID 19495148

About N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495148) has the molecular formula C21H19FN4O2S2 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
• PubChem CID: 19495148
• Molecular Formula: C21H19FN4O2S2
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.09
• IUPAC Name: N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
• SMILES: CCn1cc(-c2csc(NC(=O)c3cc(COc4ccccc4F)cs3)n2)c(C)n1
• InChI: InChI=1S/C21H19FN4O2S2/c1-3-26-9-15(13(2)25-26)17-12-30-21(23-17)24-20(27)19-8-14(11-29-19)10-28-18-7-5-4-6-16(18)22/h4-9,11-12H,3,10H2,1-2H3,(H,23,24,27)
• InChIKey: CQOORSTZTLQNEO-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19495148) is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is CCn1cc(-c2csc(NC(=O)c3cc(COc4ccccc4F)cs3)n2)c(C)n1.

What is the InChIKey of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?

The InChIKey is CQOORSTZTLQNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S2/c1-3-26-9-15(13(2)25-26)17-12-30-21(23-17)24-20(27)19-8-14(11-29-19)10-28-18-7-5-4-6-16(18)22/h4-9,11-12H,3,10H2,1-2H3,(H,23,24,27).

What are the key properties of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?

N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).