1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C14H14Cl2N4OS2 — CID 120856187

About 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120856187) has the molecular formula C14H14Cl2N4OS2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• PubChem CID: 120856187
• Molecular Formula: C14H14Cl2N4OS2
• Molecular Weight: 389.33 g/mol
• Exact Mass: 388.00
• IUPAC Name: 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• SMILES: Cl.NC1(c2noc(-c3csc(-c4ccc(Cl)s4)n3)n2)CCCC1
• InChI: InChI=1S/C14H13ClN4OS2.ClH/c15-10-4-3-9(22-10)12-17-8(7-21-12)11-18-13(19-20-11)14(16)5-1-2-6-14;/h3-4,7H,1-2,5-6,16H2;1H
• InChIKey: NKKVQYONEZXUKW-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 77.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.33
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120856187) is 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

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

The canonical SMILES for 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3csc(-c4ccc(Cl)s4)n3)n2)CCCC1.

What is the InChIKey of 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The InChIKey is NKKVQYONEZXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS2.ClH/c15-10-4-3-9(22-10)12-17-8(7-21-12)11-18-13(19-20-11)14(16)5-1-2-6-14;/h3-4,7H,1-2,5-6,16H2;1H.

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

1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 389.33 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120856187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).