5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C18H23N7S — CID 124987724

About 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 124987724) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• PubChem CID: 124987724
• Molecular Formula: C18H23N7S
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.17
• IUPAC Name: 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
• SMILES: Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cn[nH]c3C)C2)s1
• InChI: InChI=1S/C18H23N7S/c1-12-8-21-18(26-12)23-17-16(19-5-6-20-17)14-4-3-7-25(10-14)11-15-9-22-24-13(15)2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,22,24)(H,20,21,23)/t14-/m0/s1
• InChIKey: OICHWMRUVAULAI-AWEZNQCLSA-N
• XLogP: 3.40
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The IUPAC name of 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 124987724) is 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cn[nH]c3C)C2)s1.

What is the InChIKey of 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

The InChIKey is OICHWMRUVAULAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N7S/c1-12-8-21-18(26-12)23-17-16(19-5-6-20-17)14-4-3-7-25(10-14)11-15-9-22-24-13(15)2/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,22,24)(H,20,21,23)/t14-/m0/s1.

What are the key properties of 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?

5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).