1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea

C11H16N2O2S — CID 19894245

IUPAC1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
SMILESCc1ccc(C2CC2C(C)N(O)C(N)=O)s1
InChIInChI=1S/C11H16N2O2S/c1-6-3-4-10(16-6)9-5-8(9)7(2)13(15)11(12)14/h3-4,7-9,15H,5H2,1-2H3,(H2,12,14)
InChIKeyWFLDMGMXVODPCV-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.32
Rot. Bonds3

About 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea

1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea (PubChem CID 19894245) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
PubChem CID19894245
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
SMILESCc1ccc(C2CC2C(C)N(O)C(N)=O)s1
InChIInChI=1S/C11H16N2O2S/c1-6-3-4-10(16-6)9-5-8(9)7(2)13(15)11(12)14/h3-4,7-9,15H,5H2,1-2H3,(H2,12,14)
InChIKeyWFLDMGMXVODPCV-UHFFFAOYSA-N
XLogP2.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.32
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-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea (CID 19894245) is 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea is Cc1ccc(C2CC2C(C)N(O)C(N)=O)s1.
What is the InChIKey of 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The InChIKey is WFLDMGMXVODPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-3-4-10(16-6)9-5-8(9)7(2)13(15)11(12)14/h3-4,7-9,15H,5H2,1-2H3,(H2,12,14).
What are the key properties of 1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
1-hydroxy-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea has a molecular weight of 240.33 g/mol, XLogP of 2.32, 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-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea is sourced from PubChem (CID 19894245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).