(2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

C15H15ClN6OS — CID 2475372

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

(2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 2475372) has the molecular formula C15H15ClN6OS and a molecular weight of 362.85 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 2475372
• Molecular Formula: C15H15ClN6OS
• Molecular Weight: 362.85 g/mol
• Exact Mass: 362.07
• IUPAC Name: (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nc2n1
• InChI: InChI=1S/C15H15ClN6OS/c1-8-6-9(2)22-14(18-8)20-15(21-22)24-10(3)13(23)19-12-5-4-11(16)7-17-12/h4-7,10H,1-3H3,(H,17,19,23)/t10-/m1/s1
• InChIKey: MIXXCWAWZDKQLD-SNVBAGLBSA-N
• XLogP: 2.91
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.85
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (CID 2475372) is (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

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

The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nc2n1.

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

The InChIKey is MIXXCWAWZDKQLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN6OS/c1-8-6-9(2)22-14(18-8)20-15(21-22)24-10(3)13(23)19-12-5-4-11(16)7-17-12/h4-7,10H,1-3H3,(H,17,19,23)/t10-/m1/s1.

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

(2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 362.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2475372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).