3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C9H13N5O2S2 — CID 35358040

IUPAC3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nnc(N)s2)C1=O
InChIInChI=1S/C9H13N5O2S2/c1-9(2)5(15)14(7(16)11-9)3-4-17-8-13-12-6(10)18-8/h3-4H2,1-2H3,(H2,10,12)(H,11,16)
InChIKeySMKMROWBILPDRT-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.54
Rot. Bonds4

About 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 35358040) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID35358040
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nnc(N)s2)C1=O
InChIInChI=1S/C9H13N5O2S2/c1-9(2)5(15)14(7(16)11-9)3-4-17-8-13-12-6(10)18-8/h3-4H2,1-2H3,(H2,10,12)(H,11,16)
InChIKeySMKMROWBILPDRT-UHFFFAOYSA-N
XLogP0.54
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43302894
3-[2-(2-amino-5-chlorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79527723
3-[2-(4-hydroxyphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47298341
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38662711
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35363250
(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
CID 107773127
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 114528160

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 35358040) is 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSc2nnc(N)s2)C1=O.
What is the InChIKey of 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SMKMROWBILPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-9(2)5(15)14(7(16)11-9)3-4-17-8-13-12-6(10)18-8/h3-4H2,1-2H3,(H2,10,12)(H,11,16).
What are the key properties of 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 287.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 35358040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).