3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one

C10H15IN4O2S — CID 70473772

IUPAC3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one
SMILESCC(C)(C)c1nnc(N2C(=O)N(CI)CC2O)s1
InChIInChI=1S/C10H15IN4O2S/c1-10(2,3)7-12-13-8(18-7)15-6(16)4-14(5-11)9(15)17/h6,16H,4-5H2,1-3H3
InChIKeyXFZNIFPAVKFYRC-UHFFFAOYSA-N
MW382.23 g/mol
LogP1.79
Rot. Bonds2

About 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one

3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one (PubChem CID 70473772) has the molecular formula C10H15IN4O2S and a molecular weight of 382.23 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one
PubChem CID70473772
Molecular FormulaC10H15IN4O2S
Molecular Weight382.23 g/mol
Exact Mass382.00
IUPAC Name3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one
SMILESCC(C)(C)c1nnc(N2C(=O)N(CI)CC2O)s1
InChIInChI=1S/C10H15IN4O2S/c1-10(2,3)7-12-13-8(18-7)15-6(16)4-14(5-11)9(15)17/h6,16H,4-5H2,1-3H3
InChIKeyXFZNIFPAVKFYRC-UHFFFAOYSA-N
XLogP1.79
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one?
The IUPAC name of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one (CID 70473772) is 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one.
What is the SMILES notation for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one?
The canonical SMILES for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one is CC(C)(C)c1nnc(N2C(=O)N(CI)CC2O)s1.
What is the InChIKey of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one?
The InChIKey is XFZNIFPAVKFYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2S/c1-10(2,3)7-12-13-8(18-7)15-6(16)4-14(5-11)9(15)17/h6,16H,4-5H2,1-3H3.
What are the key properties of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one?
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one has a molecular weight of 382.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-(iodomethyl)imidazolidin-2-one is sourced from PubChem (CID 70473772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).