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

C13H18N4OS — CID 65400403

IUPAC4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCC1CCCC(c2noc(-c3csc(N)n3)n2)C1
InChIInChI=1S/C13H18N4OS/c1-2-8-4-3-5-9(6-8)11-16-12(18-17-11)10-7-19-13(14)15-10/h7-9H,2-6H2,1H3,(H2,14,15)
InChIKeyBVFBEIANMQQMEP-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.46
Rot. Bonds3

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

4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 65400403) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID65400403
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCC1CCCC(c2noc(-c3csc(N)n3)n2)C1
InChIInChI=1S/C13H18N4OS/c1-2-8-4-3-5-9(6-8)11-16-12(18-17-11)10-7-19-13(14)15-10/h7-9H,2-6H2,1H3,(H2,14,15)
InChIKeyBVFBEIANMQQMEP-UHFFFAOYSA-N
XLogP3.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65414293
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65401824
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401013
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915948
4-bromo-3-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296591
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770740
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106524981
4-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 115385364
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 65402238
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 65400403) is 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is CCC1CCCC(c2noc(-c3csc(N)n3)n2)C1.
What is the InChIKey of 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is BVFBEIANMQQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-8-4-3-5-9(6-8)11-16-12(18-17-11)10-7-19-13(14)15-10/h7-9H,2-6H2,1H3,(H2,14,15).
What are the key properties of 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65400403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).