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

C20H23ClN6S — CID 142770135

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

N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 142770135) has the molecular formula C20H23ClN6S and a molecular weight of 414.97 g/mol. Its IUPAC name is N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 142770135
• Molecular Formula: C20H23ClN6S
• Molecular Weight: 414.97 g/mol
• Exact Mass: 414.14
• IUPAC Name: N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• SMILES: Cc1cc(Nc2ncc(C)s2)nc(C2CCCCN2Cc2ccc(Cl)cn2)n1
• InChI: InChI=1S/C20H23ClN6S/c1-13-9-18(26-20-23-10-14(2)28-20)25-19(24-13)17-5-3-4-8-27(17)12-16-7-6-15(21)11-22-16/h6-7,9-11,17H,3-5,8,12H2,1-2H3,(H,23,24,25,26)
• InChIKey: LVVHKBQGLSKLKJ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.97
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 142770135) is N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

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

The canonical SMILES for N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc(C2CCCCN2Cc2ccc(Cl)cn2)n1.

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

The InChIKey is LVVHKBQGLSKLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6S/c1-13-9-18(26-20-23-10-14(2)28-20)25-19(24-13)17-5-3-4-8-27(17)12-16-7-6-15(21)11-22-16/h6-7,9-11,17H,3-5,8,12H2,1-2H3,(H,23,24,25,26).

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

N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 414.97 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 142770135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).