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

C14H13N5O2S3 — CID 7883556

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

(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide (PubChem CID 7883556) has the molecular formula C14H13N5O2S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide
• PubChem CID: 7883556
• Molecular Formula: C14H13N5O2S3
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.02
• IUPAC Name: (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide
• SMILES: C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccccc1C#N
• InChI: InChI=1S/C14H13N5O2S3/c1-8(12(21)17-10-5-3-2-4-9(10)6-15)23-14-19-18-13(24-14)22-7-11(16)20/h2-5,8H,7H2,1H3,(H2,16,20)(H,17,21)/t8-/m0/s1
• InChIKey: SHMFVXXNFNSRAQ-QMMMGPOBSA-N
• XLogP: 2.11
• TPSA: 121.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2-cyanophenyl)propanamide?

The IUPAC name of (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide (CID 7883556) is (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide.

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

The canonical SMILES for (2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide is C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccccc1C#N.

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

The InChIKey is SHMFVXXNFNSRAQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13N5O2S3/c1-8(12(21)17-10-5-3-2-4-9(10)6-15)23-14-19-18-13(24-14)22-7-11(16)20/h2-5,8H,7H2,1H3,(H2,16,20)(H,17,21)/t8-/m0/s1.

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

(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-cyanophenyl)propanamide has a molecular weight of 379.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-(2-cyanophenyl)propanamide is sourced from PubChem (CID 7883556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).