[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H23N5OS — CID 56738871

About [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56738871) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 56738871
• Molecular Formula: C20H23N5OS
• Molecular Weight: 381.51 g/mol
• Exact Mass: 381.16
• IUPAC Name: [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: CNc1nc(C)c(C(=O)N2CCCC(c3[nH]ncc3-c3ccccc3)C2)s1
• InChI: InChI=1S/C20H23N5OS/c1-13-18(27-20(21-2)23-13)19(26)25-10-6-9-15(12-25)17-16(11-22-24-17)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: FKAIJISLEGHJTH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56738871) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CNc1nc(C)c(C(=O)N2CCCC(c3[nH]ncc3-c3ccccc3)C2)s1.

What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is FKAIJISLEGHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-18(27-20(21-2)23-13)19(26)25-10-6-9-15(12-25)17-16(11-22-24-17)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3,(H,21,23)(H,22,24).

What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 381.51 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56738871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).