N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide

C19H17N5O2S — CID 46379959

About N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide (PubChem CID 46379959) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide
• PubChem CID: 46379959
• Molecular Formula: C19H17N5O2S
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.11
• IUPAC Name: N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide
• SMILES: CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C19H17N5O2S/c1-3-15-12(2)22-19-20-11-21-24(19)18(15)27-14-8-6-13(7-9-14)23-17(25)16-5-4-10-26-16/h4-11H,3H2,1-2H3,(H,23,25)
• InChIKey: ZYISXKUUPNXFGB-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide (CID 46379959) is N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide is CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccco2)cc1.

What is the InChIKey of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide?

The InChIKey is ZYISXKUUPNXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-15-12(2)22-19-20-11-21-24(19)18(15)27-14-8-6-13(7-9-14)23-17(25)16-5-4-10-26-16/h4-11H,3H2,1-2H3,(H,23,25).

What are the key properties of N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide?

N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46379959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).