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

C9H16N4O2S — CID 106395704

IUPAC1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
SMILESCOCCCNC(=S)NCCc1ncno1
InChIInChI=1S/C9H16N4O2S/c1-14-6-2-4-10-9(16)11-5-3-8-12-7-13-15-8/h7H,2-6H2,1H3,(H2,10,11,16)
InChIKeyYVEQEUSUNVUMDI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.11
Rot. Bonds7

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

1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea (PubChem CID 106395704) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
PubChem CID106395704
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
SMILESCOCCCNC(=S)NCCc1ncno1
InChIInChI=1S/C9H16N4O2S/c1-14-6-2-4-10-9(16)11-5-3-8-12-7-13-15-8/h7H,2-6H2,1H3,(H2,10,11,16)
InChIKeyYVEQEUSUNVUMDI-UHFFFAOYSA-N
XLogP0.11
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-propylurea
CID 103743945
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 103743947
1-Butyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743948
1-Ethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743950
1-Methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-Methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743963
2-(2-Methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743964
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-2-propylguanidine
CID 103743969
1-Ethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743970
1,1-Dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103744088
1-Ethyl-1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103744237

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea (CID 106395704) is 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea is COCCCNC(=S)NCCc1ncno1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
The InChIKey is YVEQEUSUNVUMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-14-6-2-4-10-9(16)11-5-3-8-12-7-13-15-8/h7H,2-6H2,1H3,(H2,10,11,16).
What are the key properties of 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea?
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea has a molecular weight of 244.32 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea is sourced from PubChem (CID 106395704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).