1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea

C11H18N4OS — CID 106395713

IUPAC1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
SMILESS=C(NCCc1ncno1)NC1CCCCC1
InChIInChI=1S/C11H18N4OS/c17-11(15-9-4-2-1-3-5-9)12-7-6-10-13-8-14-16-10/h8-9H,1-7H2,(H2,12,15,17)
InChIKeyXUMRRIKEDOFVEM-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.41
Rot. Bonds4

About 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea

1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea (PubChem CID 106395713) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
PubChem CID106395713
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
SMILESS=C(NCCc1ncno1)NC1CCCCC1
InChIInChI=1S/C11H18N4OS/c17-11(15-9-4-2-1-3-5-9)12-7-6-10-13-8-14-16-10/h8-9H,1-7H2,(H2,12,15,17)
InChIKeyXUMRRIKEDOFVEM-UHFFFAOYSA-N
XLogP1.41
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclododecanamine
CID 106394531
4-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106403707
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 106400144
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395704
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclooctyl-3-propylthiourea
CID 19650537
trans-(1S,2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]cyclopentan-1-ol
CID 106399719
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
CID 71899681

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea (CID 106395713) is 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea is S=C(NCCc1ncno1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The InChIKey is XUMRRIKEDOFVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c17-11(15-9-4-2-1-3-5-9)12-7-6-10-13-8-14-16-10/h8-9H,1-7H2,(H2,12,15,17).
What are the key properties of 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea has a molecular weight of 254.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea is sourced from PubChem (CID 106395713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).