N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

C21H28N6S — CID 132778206

About N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 132778206) has the molecular formula C21H28N6S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 132778206
• Molecular Formula: C21H28N6S
• Molecular Weight: 396.56 g/mol
• Exact Mass: 396.21
• IUPAC Name: N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
• SMILES: CCn1ncc(CN2CCCC(c3cccc(Nc4ncc(C)s4)n3)C2)c1C
• InChI: InChI=1S/C21H28N6S/c1-4-27-16(3)18(12-23-27)14-26-10-6-7-17(13-26)19-8-5-9-20(24-19)25-21-22-11-15(2)28-21/h5,8-9,11-12,17H,4,6-7,10,13-14H2,1-3H3,(H,22,24,25)
• InChIKey: XSFJNBQLONPBKG-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.56
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (CID 132778206) is N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is CCn1ncc(CN2CCCC(c3cccc(Nc4ncc(C)s4)n3)C2)c1C.

What is the InChIKey of N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?

The InChIKey is XSFJNBQLONPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6S/c1-4-27-16(3)18(12-23-27)14-26-10-6-7-17(13-26)19-8-5-9-20(24-19)25-21-22-11-15(2)28-21/h5,8-9,11-12,17H,4,6-7,10,13-14H2,1-3H3,(H,22,24,25).

What are the key properties of N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?

N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 396.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 132778206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).