3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one

C15H16Cl2N4O3S — CID 23463580

IUPAC3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2nnc(C(CCCl)Oc3ccc(Cl)cc3)s2)C1=O
InChIInChI=1S/C15H16Cl2N4O3S/c1-20-8-12(22)21(15(20)23)14-19-18-13(25-14)11(6-7-16)24-10-4-2-9(17)3-5-10/h2-5,11-12,22H,6-8H2,1H3
InChIKeyFUDYPGXWFGGXDM-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.13
Rot. Bonds6

About 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one

3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 23463580) has the molecular formula C15H16Cl2N4O3S and a molecular weight of 403.29 g/mol. Its IUPAC name is 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID23463580
Molecular FormulaC15H16Cl2N4O3S
Molecular Weight403.29 g/mol
Exact Mass402.03
IUPAC Name3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2nnc(C(CCCl)Oc3ccc(Cl)cc3)s2)C1=O
InChIInChI=1S/C15H16Cl2N4O3S/c1-20-8-12(22)21(15(20)23)14-19-18-13(25-14)11(6-7-16)24-10-4-2-9(17)3-5-10/h2-5,11-12,22H,6-8H2,1H3
InChIKeyFUDYPGXWFGGXDM-UHFFFAOYSA-N
XLogP3.13
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one (CID 23463580) is 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2nnc(C(CCCl)Oc3ccc(Cl)cc3)s2)C1=O.
What is the InChIKey of 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is FUDYPGXWFGGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3S/c1-20-8-12(22)21(15(20)23)14-19-18-13(25-14)11(6-7-16)24-10-4-2-9(17)3-5-10/h2-5,11-12,22H,6-8H2,1H3.
What are the key properties of 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one?
3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 403.29 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-chloro-1-(4-chlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 23463580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).