N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide

C19H17N5O3S — CID 50748810

About N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide

N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 50748810) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 50748810
• Molecular Formula: C19H17N5O3S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.11
• IUPAC Name: N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
• SMILES: COc1ccccc1N(Cc1nc2nc(C)cc(=O)n2[nH]1)C(=O)c1cccs1
• InChI: InChI=1S/C19H17N5O3S/c1-12-10-17(25)24-19(20-12)21-16(22-24)11-23(18(26)15-8-5-9-28-15)13-6-3-4-7-14(13)27-2/h3-10H,11H2,1-2H3,(H,20,21,22)
• InChIKey: BCPYXGXXVOYVRC-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide (CID 50748810) is N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide is COc1ccccc1N(Cc1nc2nc(C)cc(=O)n2[nH]1)C(=O)c1cccs1.

What is the InChIKey of N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide?

The InChIKey is BCPYXGXXVOYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-12-10-17(25)24-19(20-12)21-16(22-24)11-23(18(26)15-8-5-9-28-15)13-6-3-4-7-14(13)27-2/h3-10H,11H2,1-2H3,(H,20,21,22).

What are the key properties of N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide?

N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 50748810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).