N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

C16H15F2N5OS — CID 51234442

About N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 51234442) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 51234442
• Molecular Formula: C16H15F2N5OS
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.10
• IUPAC Name: N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: Cc1cc(C)n2nc(SC(C)C(=O)Nc3ccc(F)c(F)c3)nc2n1
• InChI: InChI=1S/C16H15F2N5OS/c1-8-6-9(2)23-15(19-8)21-16(22-23)25-10(3)14(24)20-11-4-5-12(17)13(18)7-11/h4-7,10H,1-3H3,(H,20,24)
• InChIKey: RMHOPWIJPVTZSW-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (CID 51234442) is N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(C)n2nc(SC(C)C(=O)Nc3ccc(F)c(F)c3)nc2n1.

What is the InChIKey of N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?

The InChIKey is RMHOPWIJPVTZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c1-8-6-9(2)23-15(19-8)21-16(22-23)25-10(3)14(24)20-11-4-5-12(17)13(18)7-11/h4-7,10H,1-3H3,(H,20,24).

What are the key properties of N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?

N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 363.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51234442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).