(2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide

C₂₁H₂₃N₇S₂ — CID 177373651

About (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide

(2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide (PubChem CID 177373651) has the molecular formula C₂₁H₂₃N₇S₂ and a molecular weight of 437.60 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide.

Molecular Properties

• Compound Name: (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide
• PubChem CID: 177373651
• Molecular Formula: C₂₁H₂₃N₇S₂
• Molecular Weight: 437.60 g/mol
• Exact Mass: 437.15
• IUPAC Name: (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide
• SMILES: Cc1cccc(-c2nc(NC(=S)[C@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C21H23N7S2/c1-12(2)9-15(22)20(29)27-21-26-18(16-6-4-5-13(3)25-16)19(30-21)14-7-8-17-23-11-24-28(17)10-14/h4-8,10-12,15H,9,22H2,1-3H3,(H,26,27,29)/t15-/m1/s1
• InChIKey: AWQJPZQNQQBSPB-OAHLLOKOSA-N
• XLogP: 4.34
• TPSA: 94.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.60
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide?

The IUPAC name of (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide (CID 177373651) is (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide.

What is the SMILES notation for (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide?

The canonical SMILES for (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide is Cc1cccc(-c2nc(NC(=S)[C@H](N)CC(C)C)sc2-c2ccc3ncnn3c2)n1.

What is the InChIKey of (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide?

The InChIKey is AWQJPZQNQQBSPB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N7S2/c1-12(2)9-15(22)20(29)27-21-26-18(16-6-4-5-13(3)25-16)19(30-21)14-7-8-17-23-11-24-28(17)10-14/h4-8,10-12,15H,9,22H2,1-3H3,(H,26,27,29)/t15-/m1/s1.

What are the key properties of (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide?

(2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide has a molecular weight of 437.60 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-4-methyl-N-[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]pentanethioamide is sourced from PubChem (CID 177373651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177373651 — identifiers, structure, computed properties (public domain)

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