1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea

C10H16N2O3S — CID 19799218

IUPAC1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea
SMILESCc1ccc(COC(C)CN(O)C(N)=O)s1
InChIInChI=1S/C10H16N2O3S/c1-7(5-12(14)10(11)13)15-6-9-4-3-8(2)16-9/h3-4,7,14H,5-6H2,1-2H3,(H2,11,13)
InChIKeySCXGDYRSTBABKM-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.73
Rot. Bonds5

About 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea

1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea (PubChem CID 19799218) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea
PubChem CID19799218
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea
SMILESCc1ccc(COC(C)CN(O)C(N)=O)s1
InChIInChI=1S/C10H16N2O3S/c1-7(5-12(14)10(11)13)15-6-9-4-3-8(2)16-9/h3-4,7,14H,5-6H2,1-2H3,(H2,11,13)
InChIKeySCXGDYRSTBABKM-UHFFFAOYSA-N
XLogP1.73
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea?
The IUPAC name of 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea (CID 19799218) is 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea.
What is the SMILES notation for 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea?
The canonical SMILES for 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea is Cc1ccc(COC(C)CN(O)C(N)=O)s1.
What is the InChIKey of 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea?
The InChIKey is SCXGDYRSTBABKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(5-12(14)10(11)13)15-6-9-4-3-8(2)16-9/h3-4,7,14H,5-6H2,1-2H3,(H2,11,13).
What are the key properties of 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea?
1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea has a molecular weight of 244.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea is sourced from PubChem (CID 19799218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).