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

C17H18ClFN4OS — CID 120852667

IUPAC1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3csc(Cc4ccccc4F)n3)n2)CCCC1
InChIInChI=1S/C17H17FN4OS.ClH/c18-12-6-2-1-5-11(12)9-14-20-13(10-24-14)15-21-16(22-23-15)17(19)7-3-4-8-17;/h1-2,5-6,10H,3-4,7-9,19H2;1H
InChIKeyCAAIMWVMXSXMSB-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.07
Rot. Bonds4

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

1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852667) has the molecular formula C17H18ClFN4OS and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120852667
Molecular FormulaC17H18ClFN4OS
Molecular Weight380.88 g/mol
Exact Mass380.09
IUPAC Name1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3csc(Cc4ccccc4F)n3)n2)CCCC1
InChIInChI=1S/C17H17FN4OS.ClH/c18-12-6-2-1-5-11(12)9-14-20-13(10-24-14)15-21-16(22-23-15)17(19)7-3-4-8-17;/h1-2,5-6,10H,3-4,7-9,19H2;1H
InChIKeyCAAIMWVMXSXMSB-UHFFFAOYSA-N
XLogP4.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862016
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1-[5-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856187
1-[5-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855275
1-[5-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855274
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852667) is 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3csc(Cc4ccccc4F)n3)n2)CCCC1.
What is the InChIKey of 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is CAAIMWVMXSXMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS.ClH/c18-12-6-2-1-5-11(12)9-14-20-13(10-24-14)15-21-16(22-23-15)17(19)7-3-4-8-17;/h1-2,5-6,10H,3-4,7-9,19H2;1H.
What are the key properties of 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).