1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea

C10H14N2O2S — CID 19894141

IUPAC1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea
SMILESCC(C1CC1c1cccs1)N(O)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6(12(14)10(11)13)7-5-8(7)9-3-2-4-15-9/h2-4,6-8,14H,5H2,1H3,(H2,11,13)
InChIKeyTZBXGXUBENZNFF-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.01
Rot. Bonds3

About 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea

1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea (PubChem CID 19894141) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea
PubChem CID19894141
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea
SMILESCC(C1CC1c1cccs1)N(O)C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-6(12(14)10(11)13)7-5-8(7)9-3-2-4-15-9/h2-4,6-8,14H,5H2,1H3,(H2,11,13)
InChIKeyTZBXGXUBENZNFF-UHFFFAOYSA-N
XLogP2.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea (CID 19894141) is 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea is CC(C1CC1c1cccs1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
The InChIKey is TZBXGXUBENZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(12(14)10(11)13)7-5-8(7)9-3-2-4-15-9/h2-4,6-8,14H,5H2,1H3,(H2,11,13).
What are the key properties of 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea?
1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea has a molecular weight of 226.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(2-thiophen-2-ylcyclopropyl)ethyl]urea is sourced from PubChem (CID 19894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).