(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

C23H19N5OS2 — CID 92503455

About (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 92503455) has the molecular formula C23H19N5OS2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
• PubChem CID: 92503455
• Molecular Formula: C23H19N5OS2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.10
• IUPAC Name: (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
• SMILES: C[C@@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NCc1cccs1
• InChI: InChI=1S/C23H19N5OS2/c1-15(22(29)24-14-17-10-7-13-30-17)31-23-27-26-21-18-11-5-6-12-19(18)25-20(28(21)23)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,24,29)/t15-/m1/s1
• InChIKey: GGXKDZLVSCFCFV-OAHLLOKOSA-N
• XLogP: 4.80
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide?

The IUPAC name of (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide (CID 92503455) is (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide.

What is the SMILES notation for (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide?

The canonical SMILES for (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide is C[C@@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NCc1cccs1.

What is the InChIKey of (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide?

The InChIKey is GGXKDZLVSCFCFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19N5OS2/c1-15(22(29)24-14-17-10-7-13-30-17)31-23-27-26-21-18-11-5-6-12-19(18)25-20(28(21)23)16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,24,29)/t15-/m1/s1.

What are the key properties of (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide?

(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 445.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 92503455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).