1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea

C9H10N2O2S2 — CID 10538130

IUPAC1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea
SMILESCC(c1cc2ccsc2s1)N(O)C(N)=O
InChIInChI=1S/C9H10N2O2S2/c1-5(11(13)9(10)12)7-4-6-2-3-14-8(6)15-7/h2-5,13H,1H3,(H2,10,12)
InChIKeyMPKUBEKKAWQRAF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.79
Rot. Bonds2

About 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea

1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea (PubChem CID 10538130) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea
PubChem CID10538130
Molecular FormulaC9H10N2O2S2
Molecular Weight242.33 g/mol
Exact Mass242.02
IUPAC Name1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea
SMILESCC(c1cc2ccsc2s1)N(O)C(N)=O
InChIInChI=1S/C9H10N2O2S2/c1-5(11(13)9(10)12)7-4-6-2-3-14-8(6)15-7/h2-5,13H,1H3,(H2,10,12)
InChIKeyMPKUBEKKAWQRAF-UHFFFAOYSA-N
XLogP2.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.79
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-thieno[2,3-b]thiophen-5-ylethyl)urea?
The IUPAC name of 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea (CID 10538130) is 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea.
What is the SMILES notation for 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea?
The canonical SMILES for 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea is CC(c1cc2ccsc2s1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea?
The InChIKey is MPKUBEKKAWQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-5(11(13)9(10)12)7-4-6-2-3-14-8(6)15-7/h2-5,13H,1H3,(H2,10,12).
What are the key properties of 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea?
1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea has a molecular weight of 242.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(1-thieno[2,3-b]thiophen-5-ylethyl)urea is sourced from PubChem (CID 10538130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).