1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C13H12N4OS2 — CID 120862016

IUPAC1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3csc(-c4cccs4)n3)n2)CCC1
InChIInChI=1S/C13H12N4OS2/c14-13(4-2-5-13)12-16-10(18-17-12)8-7-20-11(15-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5,14H2
InChIKeyCWKXCQUGBMHZNU-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.26
Rot. Bonds3

About 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862016) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862016
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3csc(-c4cccs4)n3)n2)CCC1
InChIInChI=1S/C13H12N4OS2/c14-13(4-2-5-13)12-16-10(18-17-12)8-7-20-11(15-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5,14H2
InChIKeyCWKXCQUGBMHZNU-UHFFFAOYSA-N
XLogP3.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
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-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1-[5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852667
1-[5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855696
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
1-[5-(5-pyridin-4-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864199
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862016) is 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3csc(-c4cccs4)n3)n2)CCC1.
What is the InChIKey of 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is CWKXCQUGBMHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c14-13(4-2-5-13)12-16-10(18-17-12)8-7-20-11(15-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5,14H2.
What are the key properties of 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).