N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide

C22H26N2O2S — CID 18827867

About N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide

N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 18827867) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
• PubChem CID: 18827867
• Molecular Formula: C22H26N2O2S
• Molecular Weight: 382.53 g/mol
• Exact Mass: 382.17
• IUPAC Name: N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
• SMILES: CCCCc1ccc(Cc2cnc(NC(=O)CCc3ccc(C)o3)s2)cc1
• InChI: InChI=1S/C22H26N2O2S/c1-3-4-5-17-7-9-18(10-8-17)14-20-15-23-22(27-20)24-21(25)13-12-19-11-6-16(2)26-19/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,24,25)
• InChIKey: GOYCYAMKNTXHNZ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.53
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?

The IUPAC name of N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (CID 18827867) is N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.

What is the SMILES notation for N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?

The canonical SMILES for N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide is CCCCc1ccc(Cc2cnc(NC(=O)CCc3ccc(C)o3)s2)cc1.

What is the InChIKey of N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?

The InChIKey is GOYCYAMKNTXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-3-4-5-17-7-9-18(10-8-17)14-20-15-23-22(27-20)24-21(25)13-12-19-11-6-16(2)26-19/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,24,25).

What are the key properties of N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?

N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 382.53 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 18827867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).