5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine

C14H20N4OS — CID 80602727

IUPAC5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H20N4OS/c1-9-11(20-14(15)16-9)13-17-12(18-19-13)10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3,(H2,15,16)
InChIKeyGZJDBJOFRBUUCA-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.91
Rot. Bonds2

About 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine

5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 80602727) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID80602727
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H20N4OS/c1-9-11(20-14(15)16-9)13-17-12(18-19-13)10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3,(H2,15,16)
InChIKeyGZJDBJOFRBUUCA-UHFFFAOYSA-N
XLogP3.91
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
4-methyl-5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 79963003
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 62794324
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 103619120
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 116742479
1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373866
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62807856

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine (CID 80602727) is 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GZJDBJOFRBUUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-11(20-14(15)16-9)13-17-12(18-19-13)10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3,(H2,15,16).
What are the key properties of 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine?
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 80602727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).