1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one

C10H16N4OS — CID 135164310

IUPAC1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one
SMILESCC(C)c1nsc(N2C(=O)N(C)CC2C)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)8-11-9(16-12-8)14-7(3)5-13(4)10(14)15/h6-7H,5H2,1-4H3
InChIKeyWHBSHMDLGVGCOB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.92
Rot. Bonds2

About 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one

1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one (PubChem CID 135164310) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one
PubChem CID135164310
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one
SMILESCC(C)c1nsc(N2C(=O)N(C)CC2C)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)8-11-9(16-12-8)14-7(3)5-13(4)10(14)15/h6-7H,5H2,1-4H3
InChIKeyWHBSHMDLGVGCOB-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one?
The IUPAC name of 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one (CID 135164310) is 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one is CC(C)c1nsc(N2C(=O)N(C)CC2C)n1.
What is the InChIKey of 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one?
The InChIKey is WHBSHMDLGVGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)8-11-9(16-12-8)14-7(3)5-13(4)10(14)15/h6-7H,5H2,1-4H3.
What are the key properties of 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one?
1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 135164310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).