1-(furan-2-carbonylamino)-3-phenylthiourea

C12H11N3O2S — CID 736799

IUPAC1-(furan-2-carbonylamino)-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccco1
InChIInChI=1S/C12H11N3O2S/c16-11(10-7-4-8-17-10)14-15-12(18)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,18)
InChIKeyGWUUETPFVSILLU-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.91
Rot. Bonds2

About 1-(furan-2-carbonylamino)-3-phenylthiourea

1-(furan-2-carbonylamino)-3-phenylthiourea (PubChem CID 736799) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(furan-2-carbonylamino)-3-phenylthiourea.

Molecular Properties

Compound Name1-(furan-2-carbonylamino)-3-phenylthiourea
PubChem CID736799
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name1-(furan-2-carbonylamino)-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccco1
InChIInChI=1S/C12H11N3O2S/c16-11(10-7-4-8-17-10)14-15-12(18)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,18)
InChIKeyGWUUETPFVSILLU-UHFFFAOYSA-N
XLogP1.91
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonylamino)-3-phenylthiourea?
The IUPAC name of 1-(furan-2-carbonylamino)-3-phenylthiourea (CID 736799) is 1-(furan-2-carbonylamino)-3-phenylthiourea.
What is the SMILES notation for 1-(furan-2-carbonylamino)-3-phenylthiourea?
The canonical SMILES for 1-(furan-2-carbonylamino)-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonylamino)-3-phenylthiourea?
The InChIKey is GWUUETPFVSILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-11(10-7-4-8-17-10)14-15-12(18)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,18).
What are the key properties of 1-(furan-2-carbonylamino)-3-phenylthiourea?
1-(furan-2-carbonylamino)-3-phenylthiourea has a molecular weight of 261.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonylamino)-3-phenylthiourea is sourced from PubChem (CID 736799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).