1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea

C7H9N3OS — CID 19686895

IUPAC1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccon1
InChIInChI=1S/C7H9N3OS/c1-2-4-8-7(12)9-6-3-5-11-10-6/h2-3,5H,1,4H2,(H2,8,9,10,12)
InChIKeyRDRFRSQCCJNOHE-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.15
Rot. Bonds3

About 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea

1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea (PubChem CID 19686895) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea
PubChem CID19686895
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccon1
InChIInChI=1S/C7H9N3OS/c1-2-4-8-7(12)9-6-3-5-11-10-6/h2-3,5H,1,4H2,(H2,8,9,10,12)
InChIKeyRDRFRSQCCJNOHE-UHFFFAOYSA-N
XLogP1.15
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea (CID 19686895) is 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea?
The InChIKey is RDRFRSQCCJNOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-2-4-8-7(12)9-6-3-5-11-10-6/h2-3,5H,1,4H2,(H2,8,9,10,12).
What are the key properties of 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea?
1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea has a molecular weight of 183.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-3-prop-2-enylthiourea is sourced from PubChem (CID 19686895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).