[2-(1,3-oxazol-2-yl)phenyl]thiourea

C10H9N3OS — CID 23027895

IUPAC[2-(1,3-oxazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1-c1ncco1
InChIInChI=1S/C10H9N3OS/c11-10(15)13-8-4-2-1-3-7(8)9-12-5-6-14-9/h1-6H,(H3,11,13,15)
InChIKeyRWQHAMXUWRDHHB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.00
Rot. Bonds2

About [2-(1,3-oxazol-2-yl)phenyl]thiourea

[2-(1,3-oxazol-2-yl)phenyl]thiourea (PubChem CID 23027895) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is [2-(1,3-oxazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[2-(1,3-oxazol-2-yl)phenyl]thiourea
PubChem CID23027895
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name[2-(1,3-oxazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1-c1ncco1
InChIInChI=1S/C10H9N3OS/c11-10(15)13-8-4-2-1-3-7(8)9-12-5-6-14-9/h1-6H,(H3,11,13,15)
InChIKeyRWQHAMXUWRDHHB-UHFFFAOYSA-N
XLogP2.00
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-oxazol-2-yl)phenyl]thiourea?
The IUPAC name of [2-(1,3-oxazol-2-yl)phenyl]thiourea (CID 23027895) is [2-(1,3-oxazol-2-yl)phenyl]thiourea.
What is the SMILES notation for [2-(1,3-oxazol-2-yl)phenyl]thiourea?
The canonical SMILES for [2-(1,3-oxazol-2-yl)phenyl]thiourea is NC(=S)Nc1ccccc1-c1ncco1.
What is the InChIKey of [2-(1,3-oxazol-2-yl)phenyl]thiourea?
The InChIKey is RWQHAMXUWRDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-10(15)13-8-4-2-1-3-7(8)9-12-5-6-14-9/h1-6H,(H3,11,13,15).
What are the key properties of [2-(1,3-oxazol-2-yl)phenyl]thiourea?
[2-(1,3-oxazol-2-yl)phenyl]thiourea has a molecular weight of 219.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-oxazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 23027895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).