1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one

C10H14N4O3S — CID 70616364

IUPAC1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one
SMILESC=CCCN1CC(O)N(c2nnc(OC)s2)C1=O
InChIInChI=1S/C10H14N4O3S/c1-3-4-5-13-6-7(15)14(10(13)16)8-11-12-9(17-2)18-8/h3,7,15H,1,4-6H2,2H3
InChIKeyVMAHNPGMPXBSEO-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.68
Rot. Bonds5

About 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one

1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one (PubChem CID 70616364) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one
PubChem CID70616364
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one
SMILESC=CCCN1CC(O)N(c2nnc(OC)s2)C1=O
InChIInChI=1S/C10H14N4O3S/c1-3-4-5-13-6-7(15)14(10(13)16)8-11-12-9(17-2)18-8/h3,7,15H,1,4-6H2,2H3
InChIKeyVMAHNPGMPXBSEO-UHFFFAOYSA-N
XLogP0.68
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one (CID 70616364) is 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one is C=CCCN1CC(O)N(c2nnc(OC)s2)C1=O.
What is the InChIKey of 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one?
The InChIKey is VMAHNPGMPXBSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-3-4-5-13-6-7(15)14(10(13)16)8-11-12-9(17-2)18-8/h3,7,15H,1,4-6H2,2H3.
What are the key properties of 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one?
1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one has a molecular weight of 270.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-hydroxy-3-(5-methoxy-1,3,4-thiadiazol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 70616364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).