1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea

C11H11N3O3S — CID 15295332

IUPAC1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea
SMILESNC(=O)N(O)Cc1cnc(Oc2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c12-10(15)14(16)7-9-6-13-11(18-9)17-8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,15)
InChIKeyQGWQRXYJSJHMCB-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.21
Rot. Bonds4

About 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea

1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea (PubChem CID 15295332) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea
PubChem CID15295332
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea
SMILESNC(=O)N(O)Cc1cnc(Oc2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c12-10(15)14(16)7-9-6-13-11(18-9)17-8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,15)
InChIKeyQGWQRXYJSJHMCB-UHFFFAOYSA-N
XLogP2.21
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenoxy-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea (CID 15295332) is 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea is NC(=O)N(O)Cc1cnc(Oc2ccccc2)s1.
What is the InChIKey of 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is QGWQRXYJSJHMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-10(15)14(16)7-9-6-13-11(18-9)17-8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,12,15).
What are the key properties of 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea?
1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 265.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2-phenoxy-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 15295332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).