N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C18H21N7OS — CID 90520656

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520656) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90520656
• Molecular Formula: C18H21N7OS
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.15
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: Cc1nc(NC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C
• InChI: InChI=1S/C18H21N7OS/c1-12-13(2)27-18(22-12)23-17(26)14-5-3-7-24(10-14)15-9-16(20-11-19-15)25-8-4-6-21-25/h4,6,8-9,11,14H,3,5,7,10H2,1-2H3,(H,22,23,26)
• InChIKey: JUWOYRONKBBCIM-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520656) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is JUWOYRONKBBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-12-13(2)27-18(22-12)23-17(26)14-5-3-7-24(10-14)15-9-16(20-11-19-15)25-8-4-6-21-25/h4,6,8-9,11,14H,3,5,7,10H2,1-2H3,(H,22,23,26).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).