(2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

C15H19N3OS3 — CID 7820525

About (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

(2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 7820525) has the molecular formula C15H19N3OS3 and a molecular weight of 353.54 g/mol. Its IUPAC name is (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 7820525
• Molecular Formula: C15H19N3OS3
• Molecular Weight: 353.54 g/mol
• Exact Mass: 353.07
• IUPAC Name: (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: CSc1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)s1
• InChI: InChI=1S/C15H19N3OS3/c1-9(2)11-5-7-12(8-6-11)16-13(19)10(3)21-15-18-17-14(20-4)22-15/h5-10H,1-4H3,(H,16,19)/t10-/m1/s1
• InChIKey: PNGPRIZGIKDBOS-SNVBAGLBSA-N
• XLogP: 4.50
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.54
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The IUPAC name of (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 7820525) is (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

What is the SMILES notation for (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The canonical SMILES for (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CSc1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)s1.

What is the InChIKey of (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The InChIKey is PNGPRIZGIKDBOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3OS3/c1-9(2)11-5-7-12(8-6-11)16-13(19)10(3)21-15-18-17-14(20-4)22-15/h5-10H,1-4H3,(H,16,19)/t10-/m1/s1.

What are the key properties of (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

(2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 353.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 7820525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).