(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H22N6OS — CID 164693699

About (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164693699) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 164693699
• Molecular Formula: C19H22N6OS
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.16
• IUPAC Name: (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: Cc1nc(C(C)C)sc1C(=O)N1Cc2nnc(-c3ccccn3)n2[C@@H](C)C1
• InChI: InChI=1S/C19H22N6OS/c1-11(2)18-21-13(4)16(27-18)19(26)24-9-12(3)25-15(10-24)22-23-17(25)14-7-5-6-8-20-14/h5-8,11-12H,9-10H2,1-4H3/t12-/m0/s1
• InChIKey: GDLMLIYXMFYPCH-LBPRGKRZSA-N
• XLogP: 3.45
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164693699) is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nc(C(C)C)sc1C(=O)N1Cc2nnc(-c3ccccn3)n2[C@@H](C)C1.

What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The InChIKey is GDLMLIYXMFYPCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-11(2)18-21-13(4)16(27-18)19(26)24-9-12(3)25-15(10-24)22-23-17(25)14-7-5-6-8-20-14/h5-8,11-12H,9-10H2,1-4H3/t12-/m0/s1.

What are the key properties of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164693699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).