3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

C14H23N5O3S — CID 70638128

IUPAC3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCCCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C14H23N5O3S/c1-3-4-7-22-13-16-15-12(23-13)19-11(10-17(2)14(19)20)18-5-8-21-9-6-18/h11H,3-10H2,1-2H3
InChIKeyHQSVONFHAWQDID-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.25
Rot. Bonds6

About 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (PubChem CID 70638128) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
PubChem CID70638128
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCCCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C14H23N5O3S/c1-3-4-7-22-13-16-15-12(23-13)19-11(10-17(2)14(19)20)18-5-8-21-9-6-18/h11H,3-10H2,1-2H3
InChIKeyHQSVONFHAWQDID-UHFFFAOYSA-N
XLogP1.25
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The IUPAC name of 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (CID 70638128) is 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.
What is the SMILES notation for 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The canonical SMILES for 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is CCCCOc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1.
What is the InChIKey of 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The InChIKey is HQSVONFHAWQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-3-4-7-22-13-16-15-12(23-13)19-11(10-17(2)14(19)20)18-5-8-21-9-6-18/h11H,3-10H2,1-2H3.
What are the key properties of 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one has a molecular weight of 341.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butoxy-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is sourced from PubChem (CID 70638128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).