1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea

C13H14N2O2S2 — CID 19780484

IUPAC1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(/C=C/c2ccsc2)s1)N(O)C(N)=O
InChIInChI=1S/C13H14N2O2S2/c1-9(15(17)13(14)16)12-5-4-11(19-12)3-2-10-6-7-18-8-10/h2-9,17H,1H3,(H2,14,16)/b3-2+
InChIKeyCVXGPMPVTOSSPV-NSCUHMNNSA-N
MW294.40 g/mol
LogP3.81
Rot. Bonds4

About 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea

1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea (PubChem CID 19780484) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea
PubChem CID19780484
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(/C=C/c2ccsc2)s1)N(O)C(N)=O
InChIInChI=1S/C13H14N2O2S2/c1-9(15(17)13(14)16)12-5-4-11(19-12)3-2-10-6-7-18-8-10/h2-9,17H,1H3,(H2,14,16)/b3-2+
InChIKeyCVXGPMPVTOSSPV-NSCUHMNNSA-N
XLogP3.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.81
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-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea (CID 19780484) is 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea is CC(c1ccc(/C=C/c2ccsc2)s1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea?
The InChIKey is CVXGPMPVTOSSPV-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9(15(17)13(14)16)12-5-4-11(19-12)3-2-10-6-7-18-8-10/h2-9,17H,1H3,(H2,14,16)/b3-2+.
What are the key properties of 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea?
1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea has a molecular weight of 294.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 19780484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).