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

C9H10N4OS — CID 81162188

IUPAC1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(-c3cscn3)no2)CCC1
InChIInChI=1S/C9H10N4OS/c10-9(2-1-3-9)8-12-7(13-14-8)6-4-15-5-11-6/h4-5H,1-3,10H2
InChIKeyMQAARXIQJDOMTH-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.53
Rot. Bonds2

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

1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 81162188) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID81162188
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(-c3cscn3)no2)CCC1
InChIInChI=1S/C9H10N4OS/c10-9(2-1-3-9)8-12-7(13-14-8)6-4-15-5-11-6/h4-5H,1-3,10H2
InChIKeyMQAARXIQJDOMTH-UHFFFAOYSA-N
XLogP1.53
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61292346
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161112
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 81165365
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716804
2-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813506
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 81162188) is 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is NC1(c2nc(-c3cscn3)no2)CCC1.
What is the InChIKey of 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is MQAARXIQJDOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-9(2-1-3-9)8-12-7(13-14-8)6-4-15-5-11-6/h4-5H,1-3,10H2.
What are the key properties of 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 222.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 81162188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).