1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one

C14H22N4O3S — CID 70619639

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(O)C1COC
InChIInChI=1S/C14H22N4O3S/c1-6-7-17-9(8-21-5)10(19)18(13(17)20)12-16-15-11(22-12)14(2,3)4/h6,9-10,19H,1,7-8H2,2-5H3
InChIKeyFJWINKVGAUQQPY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.60
Rot. Bonds5

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one (PubChem CID 70619639) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one
PubChem CID70619639
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(O)C1COC
InChIInChI=1S/C14H22N4O3S/c1-6-7-17-9(8-21-5)10(19)18(13(17)20)12-16-15-11(22-12)14(2,3)4/h6,9-10,19H,1,7-8H2,2-5H3
InChIKeyFJWINKVGAUQQPY-UHFFFAOYSA-N
XLogP1.60
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.60
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-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one (CID 70619639) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one is C=CCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(O)C1COC.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one?
The InChIKey is FJWINKVGAUQQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-6-7-17-9(8-21-5)10(19)18(13(17)20)12-16-15-11(22-12)14(2,3)4/h6,9-10,19H,1,7-8H2,2-5H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one has a molecular weight of 326.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 70619639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).