(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C19H20N6OS — CID 125005367

About (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 125005367) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 125005367
• Molecular Formula: C19H20N6OS
• Molecular Weight: 380.48 g/mol
• Exact Mass: 380.14
• IUPAC Name: (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1
• InChI: InChI=1S/C19H20N6OS/c1-13-18(27-12-22-13)19(26)25-9-3-4-14(11-25)15-5-2-6-16(23-15)24-17-10-20-7-8-21-17/h2,5-8,10,12,14H,3-4,9,11H2,1H3,(H,21,23,24)/t14-/m0/s1
• InChIKey: TYTXYDATNXHRGI-AWEZNQCLSA-N
• XLogP: 3.40
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.48
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 125005367) is (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1.

What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is TYTXYDATNXHRGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-13-18(27-12-22-13)19(26)25-9-3-4-14(11-25)15-5-2-6-16(23-15)24-17-10-20-7-8-21-17/h2,5-8,10,12,14H,3-4,9,11H2,1H3,(H,21,23,24)/t14-/m0/s1.

What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?

(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 380.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125005367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).