(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide

C14H16N4O2S3 — CID 7883460

About (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide

(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide (PubChem CID 7883460) has the molecular formula C14H16N4O2S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
• PubChem CID: 7883460
• Molecular Formula: C14H16N4O2S3
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.04
• IUPAC Name: (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
• SMILES: Cc1ccc(NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)cc1
• InChI: InChI=1S/C14H16N4O2S3/c1-8-3-5-10(6-4-8)16-12(20)9(2)22-14-18-17-13(23-14)21-7-11(15)19/h3-6,9H,7H2,1-2H3,(H2,15,19)(H,16,20)/t9-/m0/s1
• InChIKey: MZXHKLNRHBCYPD-VIFPVBQESA-N
• XLogP: 2.54
• TPSA: 97.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide?

The IUPAC name of (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide (CID 7883460) is (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide.

What is the SMILES notation for (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide?

The canonical SMILES for (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)cc1.

What is the InChIKey of (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide?

The InChIKey is MZXHKLNRHBCYPD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O2S3/c1-8-3-5-10(6-4-8)16-12(20)9(2)22-14-18-17-13(23-14)21-7-11(15)19/h3-6,9H,7H2,1-2H3,(H2,15,19)(H,16,20)/t9-/m0/s1.

What are the key properties of (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide?

(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide has a molecular weight of 368.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 7883460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).