2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide

C18H26N4OS2 — CID 46674855

About 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide

2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide (PubChem CID 46674855) has the molecular formula C18H26N4OS2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
• PubChem CID: 46674855
• Molecular Formula: C18H26N4OS2
• Molecular Weight: 378.57 g/mol
• Exact Mass: 378.15
• IUPAC Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
• SMILES: Cc1cccc(Nc2nnc(SC(C)C(=O)N(C(C)C)C(C)C)s2)c1
• InChI: InChI=1S/C18H26N4OS2/c1-11(2)22(12(3)4)16(23)14(6)24-18-21-20-17(25-18)19-15-9-7-8-13(5)10-15/h7-12,14H,1-6H3,(H,19,20)
• InChIKey: LHKVAEKUYXDDJP-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.57
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?

The IUPAC name of 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide (CID 46674855) is 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide.

What is the SMILES notation for 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?

The canonical SMILES for 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide is Cc1cccc(Nc2nnc(SC(C)C(=O)N(C(C)C)C(C)C)s2)c1.

What is the InChIKey of 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?

The InChIKey is LHKVAEKUYXDDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS2/c1-11(2)22(12(3)4)16(23)14(6)24-18-21-20-17(25-18)19-15-9-7-8-13(5)10-15/h7-12,14H,1-6H3,(H,19,20).

What are the key properties of 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?

2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 378.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 46674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).