3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

C17H14N6O2S2 — CID 121351247

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 121351247) has the molecular formula C17H14N6O2S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
• PubChem CID: 121351247
• Molecular Formula: C17H14N6O2S2
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.06
• IUPAC Name: 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NCc2csc(-c3cccs3)n2)c(N)nc1-c1ncco1
• InChI: InChI=1S/C17H14N6O2S2/c1-9-12(16-19-4-5-25-16)23-14(18)13(21-9)15(24)20-7-10-8-27-17(22-10)11-3-2-6-26-11/h2-6,8H,7H2,1H3,(H2,18,23)(H,20,24)
• InChIKey: WZCJPUUMYOHENS-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 119.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (CID 121351247) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2csc(-c3cccs3)n2)c(N)nc1-c1ncco1.

What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The InChIKey is WZCJPUUMYOHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S2/c1-9-12(16-19-4-5-25-16)23-14(18)13(21-9)15(24)20-7-10-8-27-17(22-10)11-3-2-6-26-11/h2-6,8H,7H2,1H3,(H2,18,23)(H,20,24).

What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121351247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).