N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C18H23N7S — CID 124944756

About N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124944756) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• PubChem CID: 124944756
• Molecular Formula: C18H23N7S
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.17
• IUPAC Name: N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
• SMILES: Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1
• InChI: InChI=1S/C18H23N7S/c1-13-21-15(9-17(22-13)23-18-19-6-8-26-18)16-5-3-4-7-25(16)12-14-10-20-24(2)11-14/h6,8-11,16H,3-5,7,12H2,1-2H3,(H,19,21,22,23)/t16-/m1/s1
• InChIKey: BMCHIIMWUYBJEK-MRXNPFEDSA-N
• XLogP: 3.45
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.50
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124944756) is N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

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

The canonical SMILES for N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1.

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

The InChIKey is BMCHIIMWUYBJEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N7S/c1-13-21-15(9-17(22-13)23-18-19-6-8-26-18)16-5-3-4-7-25(16)12-14-10-20-24(2)11-14/h6,8-11,16H,3-5,7,12H2,1-2H3,(H,19,21,22,23)/t16-/m1/s1.

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

N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124944756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).