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

C12H16N4OS — CID 65198755

IUPAC1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nc(-c2nc(C3(N)CCCCC3)no2)cs1
InChIInChI=1S/C12H16N4OS/c1-8-14-9(7-18-8)10-15-11(16-17-10)12(13)5-3-2-4-6-12/h7H,2-6,13H2,1H3
InChIKeyKQQFFLZRNHYCFJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.62
Rot. Bonds2

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

1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 65198755) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID65198755
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nc(-c2nc(C3(N)CCCCC3)no2)cs1
InChIInChI=1S/C12H16N4OS/c1-8-14-9(7-18-8)10-15-11(16-17-10)12(13)5-3-2-4-6-12/h7H,2-6,13H2,1H3
InChIKeyKQQFFLZRNHYCFJ-UHFFFAOYSA-N
XLogP2.62
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863148
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-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-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862016
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 65198755) is 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is Cc1nc(-c2nc(C3(N)CCCCC3)no2)cs1.
What is the InChIKey of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is KQQFFLZRNHYCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-14-9(7-18-8)10-15-11(16-17-10)12(13)5-3-2-4-6-12/h7H,2-6,13H2,1H3.
What are the key properties of 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 264.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 65198755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).