1-(1,3-oxazol-2-yl)-1-phenylthiourea

C10H9N3OS — CID 174960318

IUPAC1-(1,3-oxazol-2-yl)-1-phenylthiourea
SMILESNC(=S)N(c1ccccc1)c1ncco1
InChIInChI=1S/C10H9N3OS/c11-9(15)13(10-12-6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,11,15)
InChIKeyQMFJOFVTGYVQRC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.06
Rot. Bonds2

About 1-(1,3-oxazol-2-yl)-1-phenylthiourea

1-(1,3-oxazol-2-yl)-1-phenylthiourea (PubChem CID 174960318) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-1-phenylthiourea.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-1-phenylthiourea
PubChem CID174960318
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-(1,3-oxazol-2-yl)-1-phenylthiourea
SMILESNC(=S)N(c1ccccc1)c1ncco1
InChIInChI=1S/C10H9N3OS/c11-9(15)13(10-12-6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,11,15)
InChIKeyQMFJOFVTGYVQRC-UHFFFAOYSA-N
XLogP2.06
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 1-(1,3-oxazol-2-yl)-1-phenylthiourea?
The IUPAC name of 1-(1,3-oxazol-2-yl)-1-phenylthiourea (CID 174960318) is 1-(1,3-oxazol-2-yl)-1-phenylthiourea.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-1-phenylthiourea?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-1-phenylthiourea is NC(=S)N(c1ccccc1)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-1-phenylthiourea?
The InChIKey is QMFJOFVTGYVQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(15)13(10-12-6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,11,15).
What are the key properties of 1-(1,3-oxazol-2-yl)-1-phenylthiourea?
1-(1,3-oxazol-2-yl)-1-phenylthiourea has a molecular weight of 219.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-1-phenylthiourea is sourced from PubChem (CID 174960318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).