N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C8H17N3S2Si — CID 56529267

IUPACN-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC[Si](C)(C)C)s1
InChIInChI=1S/C8H17N3S2Si/c1-5-9-7-10-11-8(13-7)12-6-14(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyYDESGIPSERPSDH-UHFFFAOYSA-N
MW247.46 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 56529267) has the molecular formula C8H17N3S2Si and a molecular weight of 247.46 g/mol. Its IUPAC name is N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID56529267
Molecular FormulaC8H17N3S2Si
Molecular Weight247.46 g/mol
Exact Mass247.06
IUPAC NameN-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC[Si](C)(C)C)s1
InChIInChI=1S/C8H17N3S2Si/c1-5-9-7-10-11-8(13-7)12-6-14(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyYDESGIPSERPSDH-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529596
2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
CID 9379515
5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 9379516
N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 12890396
N-cyclopropyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529280
N-propyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529301
N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56570646
5-methylsulfanyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 83380423

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 56529267) is N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(SC[Si](C)(C)C)s1.
What is the InChIKey of N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YDESGIPSERPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S2Si/c1-5-9-7-10-11-8(13-7)12-6-14(2,3)4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 247.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56529267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).