3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide

C24H29N5O2S — CID 42757934

About 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide

3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide (PubChem CID 42757934) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide.

Molecular Properties

• Compound Name: 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide
• PubChem CID: 42757934
• Molecular Formula: C24H29N5O2S
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.20
• IUPAC Name: 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide
• SMILES: CCC(C)C(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C24H29N5O2S/c1-5-16(4)20(26-23(31)25-19-13-11-17(12-14-19)15(2)3)21(30)27-24-29-28-22(32-24)18-9-7-6-8-10-18/h6-16,20H,5H2,1-4H3,(H2,25,26,31)(H,27,29,30)
• InChIKey: WPUVZGDEFSEGFN-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide?

The IUPAC name of 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide (CID 42757934) is 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide.

What is the SMILES notation for 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide?

The canonical SMILES for 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide is CCC(C)C(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1.

What is the InChIKey of 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide?

The InChIKey is WPUVZGDEFSEGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-5-16(4)20(26-23(31)25-19-13-11-17(12-14-19)15(2)3)21(30)27-24-29-28-22(32-24)18-9-7-6-8-10-18/h6-16,20H,5H2,1-4H3,(H2,25,26,31)(H,27,29,30).

What are the key properties of 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide?

3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide has a molecular weight of 451.60 g/mol, XLogP of 5.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide is sourced from PubChem (CID 42757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).