2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide

C13H13Cl2N5OS2 — CID 60543309

About 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide (PubChem CID 60543309) has the molecular formula C13H13Cl2N5OS2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide
• PubChem CID: 60543309
• Molecular Formula: C13H13Cl2N5OS2
• Molecular Weight: 390.32 g/mol
• Exact Mass: 388.99
• IUPAC Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide
• SMILES: CC(Sc1nnc(NC2CC2)s1)C(=O)Nc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C13H13Cl2N5OS2/c1-6(11(21)18-10-9(15)4-7(14)5-16-10)22-13-20-19-12(23-13)17-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,19)(H,16,18,21)
• InChIKey: KMGKITYADPPEOQ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.32
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide?

The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide (CID 60543309) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide.

What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide?

The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide is CC(Sc1nnc(NC2CC2)s1)C(=O)Nc1ncc(Cl)cc1Cl.

What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide?

The InChIKey is KMGKITYADPPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5OS2/c1-6(11(21)18-10-9(15)4-7(14)5-16-10)22-13-20-19-12(23-13)17-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,19)(H,16,18,21).

What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide?

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide has a molecular weight of 390.32 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide is sourced from PubChem (CID 60543309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).