6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H19N5O3S2 — CID 136952574

About 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 136952574) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 136952574
• Molecular Formula: C22H19N5O3S2
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.09
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c3c(C)noc3n2)c(C)s1
• InChI: InChI=1S/C22H19N5O3S2/c1-10-7-13(12(3)32-10)16-8-14(18-11(2)26-30-21(18)24-16)22(29)27(4)9-17-23-15-5-6-31-19(15)20(28)25-17/h5-8H,9H2,1-4H3,(H,23,25,28)
• InChIKey: JOJXOBIVBBSQJH-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 136952574) is 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c3c(C)noc3n2)c(C)s1.

What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is JOJXOBIVBBSQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-10-7-13(12(3)32-10)16-8-14(18-11(2)26-30-21(18)24-16)22(29)27(4)9-17-23-15-5-6-31-19(15)20(28)25-17/h5-8H,9H2,1-4H3,(H,23,25,28).

What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136952574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).