3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide

C19H27FN4OS — CID 3995132

About 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide

3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide (PubChem CID 3995132) has the molecular formula C19H27FN4OS and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 3995132
• Molecular Formula: C19H27FN4OS
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.19
• IUPAC Name: 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide
• SMILES: CCCCN(CCC(=O)NC(C)C)c1nc(Cc2ccc(F)cc2)ns1
• InChI: InChI=1S/C19H27FN4OS/c1-4-5-11-24(12-10-18(25)21-14(2)3)19-22-17(23-26-19)13-15-6-8-16(20)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,25)
• InChIKey: VCJHBDFGSIUGDQ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide (CID 3995132) is 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide is CCCCN(CCC(=O)NC(C)C)c1nc(Cc2ccc(F)cc2)ns1.

What is the InChIKey of 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide?

The InChIKey is VCJHBDFGSIUGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4OS/c1-4-5-11-24(12-10-18(25)21-14(2)3)19-22-17(23-26-19)13-15-6-8-16(20)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,25).

What are the key properties of 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide?

3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3995132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).