4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide

C16H13N7O2S2 — CID 136636616

About 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide

4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide (PubChem CID 136636616) has the molecular formula C16H13N7O2S2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide
• PubChem CID: 136636616
• Molecular Formula: C16H13N7O2S2
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.06
• IUPAC Name: 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2snnc2C)n1
• InChI: InChI=1S/C16H13N7O2S2/c1-8-6-13(24)19-16(17-8)23-12(7-10(21-23)11-4-3-5-26-11)18-15(25)14-9(2)20-22-27-14/h3-7H,1-2H3,(H,18,25)(H,17,19,24)
• InChIKey: DLIYNCOVYWNJPC-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide (CID 136636616) is 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2snnc2C)n1.

What is the InChIKey of 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide?

The InChIKey is DLIYNCOVYWNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S2/c1-8-6-13(24)19-16(17-8)23-12(7-10(21-23)11-4-3-5-26-11)18-15(25)14-9(2)20-22-27-14/h3-7H,1-2H3,(H,18,25)(H,17,19,24).

What are the key properties of 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide?

4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 136636616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).