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

C14H20N4OS — CID 80656600

IUPAC4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(C3CCCCC3)no2)cs1
InChIInChI=1S/C14H20N4OS/c15-14-16-11(9-20-14)7-4-8-12-17-13(18-19-12)10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,15,16)
InChIKeyNDLURONSTNUUDK-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.33
Rot. Bonds5

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

4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 80656600) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
PubChem CID80656600
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(C3CCCCC3)no2)cs1
InChIInChI=1S/C14H20N4OS/c15-14-16-11(9-20-14)7-4-8-12-17-13(18-19-12)10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,15,16)
InChIKeyNDLURONSTNUUDK-UHFFFAOYSA-N
XLogP3.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655978
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
4-[3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 103594743
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791029
4-[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655651
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine (CID 80656600) is 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(C3CCCCC3)no2)cs1.
What is the InChIKey of 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is NDLURONSTNUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c15-14-16-11(9-20-14)7-4-8-12-17-13(18-19-12)10-5-2-1-3-6-10/h9-10H,1-8H2,(H2,15,16).
What are the key properties of 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).