(2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide

C13H22N4O2S3 — CID 9376594

About (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide

(2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide (PubChem CID 9376594) has the molecular formula C13H22N4O2S3 and a molecular weight of 362.55 g/mol. Its IUPAC name is (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
• PubChem CID: 9376594
• Molecular Formula: C13H22N4O2S3
• Molecular Weight: 362.55 g/mol
• Exact Mass: 362.09
• IUPAC Name: (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
• SMILES: CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)NC(C)C)s1
• InChI: InChI=1S/C13H22N4O2S3/c1-5-6-14-10(18)7-20-12-16-17-13(22-12)21-9(4)11(19)15-8(2)3/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,19)/t9-/m1/s1
• InChIKey: AQRGJJHQJAAJLJ-SECBINFHSA-N
• XLogP: 2.16
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?

The IUPAC name of (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide (CID 9376594) is (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide.

What is the SMILES notation for (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?

The canonical SMILES for (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide is CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)NC(C)C)s1.

What is the InChIKey of (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?

The InChIKey is AQRGJJHQJAAJLJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N4O2S3/c1-5-6-14-10(18)7-20-12-16-17-13(22-12)21-9(4)11(19)15-8(2)3/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,19)/t9-/m1/s1.

What are the key properties of (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?

(2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide has a molecular weight of 362.55 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 9376594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).