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

C7H9N3O2S — CID 698244

IUPAC1-(furan-2-carbonylamino)-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C7H9N3O2S/c1-8-7(13)10-9-6(11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)(H2,8,10,13)
InChIKeyMMTJBTZNSLZVAT-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.02
Rot. Bonds1

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

1-(furan-2-carbonylamino)-3-methylthiourea (PubChem CID 698244) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(furan-2-carbonylamino)-3-methylthiourea.

Molecular Properties

Compound Name1-(furan-2-carbonylamino)-3-methylthiourea
PubChem CID698244
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name1-(furan-2-carbonylamino)-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C7H9N3O2S/c1-8-7(13)10-9-6(11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)(H2,8,10,13)
InChIKeyMMTJBTZNSLZVAT-UHFFFAOYSA-N
XLogP0.02
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.02
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-methylthiourea?
The IUPAC name of 1-(furan-2-carbonylamino)-3-methylthiourea (CID 698244) is 1-(furan-2-carbonylamino)-3-methylthiourea.
What is the SMILES notation for 1-(furan-2-carbonylamino)-3-methylthiourea?
The canonical SMILES for 1-(furan-2-carbonylamino)-3-methylthiourea is CNC(=S)NNC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonylamino)-3-methylthiourea?
The InChIKey is MMTJBTZNSLZVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-8-7(13)10-9-6(11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)(H2,8,10,13).
What are the key properties of 1-(furan-2-carbonylamino)-3-methylthiourea?
1-(furan-2-carbonylamino)-3-methylthiourea has a molecular weight of 199.24 g/mol, XLogP of 0.02, 1 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-methylthiourea is sourced from PubChem (CID 698244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).