1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea

C9H8N2O3S — CID 18330645

IUPAC1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea
SMILESO=C(NC1=CC(=O)SC1)Nc1ccco1
InChIInChI=1S/C9H8N2O3S/c12-8-4-6(5-15-8)10-9(13)11-7-2-1-3-14-7/h1-4H,5H2,(H2,10,11,13)
InChIKeyUPKHUTNNPWHBPA-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.56
Rot. Bonds2

About 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea

1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea (PubChem CID 18330645) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea
PubChem CID18330645
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea
SMILESO=C(NC1=CC(=O)SC1)Nc1ccco1
InChIInChI=1S/C9H8N2O3S/c12-8-4-6(5-15-8)10-9(13)11-7-2-1-3-14-7/h1-4H,5H2,(H2,10,11,13)
InChIKeyUPKHUTNNPWHBPA-UHFFFAOYSA-N
XLogP1.56
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
CID 57072103
1-amino-3-(furan-2-yl)urea
CID 11768663
1-(furan-2-yl)-3-(trifluoromethyl)urea
CID 151624320
1-(2,4-difluorophenyl)-3-(furan-2-yl)urea
CID 108868619
1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
CID 108868559
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868656
1-(furan-2-yl)-3-pyrrolidin-3-ylurea
CID 117235239
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
3-(furan-2-ylcarbamoylamino)benzenesulfonic acid
CID 108868322
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
CID 108868492

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea (CID 18330645) is 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea is O=C(NC1=CC(=O)SC1)Nc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea?
The InChIKey is UPKHUTNNPWHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-8-4-6(5-15-8)10-9(13)11-7-2-1-3-14-7/h1-4H,5H2,(H2,10,11,13).
What are the key properties of 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea?
1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea has a molecular weight of 224.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea is sourced from PubChem (CID 18330645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).