5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C15H25ClN6OS — CID 120904309

About 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904309) has the molecular formula C15H25ClN6OS and a molecular weight of 372.93 g/mol. Its IUPAC name is 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 120904309
• Molecular Formula: C15H25ClN6OS
• Molecular Weight: 372.93 g/mol
• Exact Mass: 372.15
• IUPAC Name: 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• SMILES: CC(C)c1nc(CN(C)C2CCN(Cc3cnc(N)s3)C2)no1.Cl
• InChI: InChI=1S/C15H24N6OS.ClH/c1-10(2)14-18-13(19-22-14)9-20(3)11-4-5-21(7-11)8-12-6-17-15(16)23-12;/h6,10-11H,4-5,7-9H2,1-3H3,(H2,16,17);1H
• InChIKey: BNJVKHYYCMEDKW-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 84.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.93
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904309) is 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)c1nc(CN(C)C2CCN(Cc3cnc(N)s3)C2)no1.Cl.

What is the InChIKey of 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is BNJVKHYYCMEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS.ClH/c1-10(2)14-18-13(19-22-14)9-20(3)11-4-5-21(7-11)8-12-6-17-15(16)23-12;/h6,10-11H,4-5,7-9H2,1-3H3,(H2,16,17);1H.

What are the key properties of 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 372.93 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).