N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

C21H27N5O3S2 — CID 55669759

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55669759) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
• PubChem CID: 55669759
• Molecular Formula: C21H27N5O3S2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)CCCc3nc(C(C)(C)C)no3)sc2C)s1
• InChI: InChI=1S/C21H27N5O3S2/c1-12-18(15-10-9-14(31-15)11-22-13(2)27)25-20(30-12)23-16(28)7-6-8-17-24-19(26-29-17)21(3,4)5/h9-10H,6-8,11H2,1-5H3,(H,22,27)(H,23,25,28)
• InChIKey: RSUILROVALBZGT-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55669759) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is CC(=O)NCc1ccc(-c2nc(NC(=O)CCCc3nc(C(C)(C)C)no3)sc2C)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?

The InChIKey is RSUILROVALBZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c1-12-18(15-10-9-14(31-15)11-22-13(2)27)25-20(30-12)23-16(28)7-6-8-17-24-19(26-29-17)21(3,4)5/h9-10H,6-8,11H2,1-5H3,(H,22,27)(H,23,25,28).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 461.61 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55669759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).