4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C22H21N5O3S2 — CID 24956492

About 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24956492) has the molecular formula C22H21N5O3S2 and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 24956492
• Molecular Formula: C22H21N5O3S2
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.11
• IUPAC Name: 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccn(Cc3ccc(S(C)(=O)=O)cc3)n2)sc1C(=O)NCc1cccnc1
• InChI: InChI=1S/C22H21N5O3S2/c1-15-20(21(28)24-13-17-4-3-10-23-12-17)31-22(25-15)19-9-11-27(26-19)14-16-5-7-18(8-6-16)32(2,29)30/h3-12H,13-14H2,1-2H3,(H,24,28)
• InChIKey: ANIJWYCYCAMXLW-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 106.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24956492) is 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(Cc3ccc(S(C)(=O)=O)cc3)n2)sc1C(=O)NCc1cccnc1.

What is the InChIKey of 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is ANIJWYCYCAMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S2/c1-15-20(21(28)24-13-17-4-3-10-23-12-17)31-22(25-15)19-9-11-27(26-19)14-16-5-7-18(8-6-16)32(2,29)30/h3-12H,13-14H2,1-2H3,(H,24,28).

What are the key properties of 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 467.58 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24956492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).