N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride

C15H16ClN5O3S — CID 120861681

About N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 120861681) has the molecular formula C15H16ClN5O3S and a molecular weight of 381.85 g/mol. Its IUPAC name is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride
• PubChem CID: 120861681
• Molecular Formula: C15H16ClN5O3S
• Molecular Weight: 381.85 g/mol
• Exact Mass: 381.07
• IUPAC Name: N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride
• SMILES: Cl.NC1(c2noc(Cc3csc(NC(=O)c4ccco4)n3)n2)CCC1
• InChI: InChI=1S/C15H15N5O3S.ClH/c16-15(4-2-5-15)13-18-11(23-20-13)7-9-8-24-14(17-9)19-12(21)10-3-1-6-22-10;/h1,3,6,8H,2,4-5,7,16H2,(H,17,19,21);1H
• InChIKey: VTCQXAPEDPPEFJ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 120.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.85
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride?

The IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride (CID 120861681) is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride?

The canonical SMILES for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride is Cl.NC1(c2noc(Cc3csc(NC(=O)c4ccco4)n3)n2)CCC1.

What is the InChIKey of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride?

The InChIKey is VTCQXAPEDPPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S.ClH/c16-15(4-2-5-15)13-18-11(23-20-13)7-9-8-24-14(17-9)19-12(21)10-3-1-6-22-10;/h1,3,6,8H,2,4-5,7,16H2,(H,17,19,21);1H.

What are the key properties of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride?

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 381.85 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120861681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).