2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol

C15H21N5OS — CID 95823667

About 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol

2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 95823667) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
• PubChem CID: 95823667
• Molecular Formula: C15H21N5OS
• Molecular Weight: 319.43 g/mol
• Exact Mass: 319.15
• IUPAC Name: 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
• SMILES: Cc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1
• InChI: InChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-4-5-17-14)12-3-2-6-20(9-12)7-8-21/h4-5,10,12,21H,2-3,6-9H2,1H3,(H,17,18,19)/t12-/m0/s1
• InChIKey: CVCDUTLEYIPLOK-LBPRGKRZSA-N
• XLogP: 2.16
• TPSA: 74.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.43
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?

The IUPAC name of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol (CID 95823667) is 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol.

What is the SMILES notation for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?

The canonical SMILES for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol is Cc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1.

What is the InChIKey of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?

The InChIKey is CVCDUTLEYIPLOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-4-5-17-14)12-3-2-6-20(9-12)7-8-21/h4-5,10,12,21H,2-3,6-9H2,1H3,(H,17,18,19)/t12-/m0/s1.

What are the key properties of 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol?

2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 319.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95823667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).