N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C16H14N6O3S — CID 153386313

About N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153386313) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• PubChem CID: 153386313
• Molecular Formula: C16H14N6O3S
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.08
• IUPAC Name: N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• SMILES: NC(=O)C(=O)C(Cc1ccns1)NC(=O)c1cncn1-c1ccccn1
• InChI: InChI=1S/C16H14N6O3S/c17-15(24)14(23)11(7-10-4-6-20-26-10)21-16(25)12-8-18-9-22(12)13-3-1-2-5-19-13/h1-6,8-9,11H,7H2,(H2,17,24)(H,21,25)
• InChIKey: ZJPTXKPOOBZWMD-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The IUPAC name of N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (CID 153386313) is N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1ccns1)NC(=O)c1cncn1-c1ccccn1.

What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The InChIKey is ZJPTXKPOOBZWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c17-15(24)14(23)11(7-10-4-6-20-26-10)21-16(25)12-8-18-9-22(12)13-3-1-2-5-19-13/h1-6,8-9,11H,7H2,(H2,17,24)(H,21,25).

What are the key properties of N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-3,4-dioxo-1-(1,2-thiazol-5-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153386313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).