5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H22N6O3S2 — CID 43062462

About 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 43062462) has the molecular formula C22H22N6O3S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• PubChem CID: 43062462
• Molecular Formula: C22H22N6O3S2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.12
• IUPAC Name: 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)C3=NN(c4ccccc4)C(C(N)=O)C3)sc2C)s1
• InChI: InChI=1S/C22H22N6O3S2/c1-12-19(18-9-8-15(33-18)11-24-13(2)29)25-22(32-12)26-21(31)16-10-17(20(23)30)28(27-16)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,23,30)(H,24,29)(H,25,26,31)
• InChIKey: ZUJYYZQSBGYNSL-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 129.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The IUPAC name of 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 43062462) is 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

What is the SMILES notation for 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The canonical SMILES for 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CC(=O)NCc1ccc(-c2nc(NC(=O)C3=NN(c4ccccc4)C(C(N)=O)C3)sc2C)s1.

What is the InChIKey of 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

The InChIKey is ZUJYYZQSBGYNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S2/c1-12-19(18-9-8-15(33-18)11-24-13(2)29)25-22(32-12)26-21(31)16-10-17(20(23)30)28(27-16)14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3,(H2,23,30)(H,24,29)(H,25,26,31).

What are the key properties of 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?

5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 482.59 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 43062462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).