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

C13H13ClN4O2S3 — CID 7883564

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

(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide (PubChem CID 7883564) has the molecular formula C13H13ClN4O2S3 and a molecular weight of 388.93 g/mol. Its IUPAC name is (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
• PubChem CID: 7883564
• Molecular Formula: C13H13ClN4O2S3
• Molecular Weight: 388.93 g/mol
• Exact Mass: 387.99
• IUPAC Name: (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
• SMILES: C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C13H13ClN4O2S3/c1-7(11(20)16-9-4-2-8(14)3-5-9)22-13-18-17-12(23-13)21-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,20)/t7-/m1/s1
• InChIKey: BRQMKOKKOOUDFX-SSDOTTSWSA-N
• XLogP: 2.89
• 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	388.93
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide (CID 7883564) is (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide.

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

The canonical SMILES for (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide is C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)Nc1ccc(Cl)cc1.

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

The InChIKey is BRQMKOKKOOUDFX-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13ClN4O2S3/c1-7(11(20)16-9-4-2-8(14)3-5-9)22-13-18-17-12(23-13)21-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19)(H,16,20)/t7-/m1/s1.

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

(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide has a molecular weight of 388.93 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 7883564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).