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

C9H17N3S2Si — CID 56570646

IUPACN-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SC[Si](C)(C)C)s1
InChIInChI=1S/C9H17N3S2Si/c1-5-6-10-8-11-12-9(14-8)13-7-15(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyGPKNHHCTNAMOEF-UHFFFAOYSA-N
MW259.48 g/mol
LogP3.11
Rot. Bonds6

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

N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 56570646) has the molecular formula C9H17N3S2Si and a molecular weight of 259.48 g/mol. Its IUPAC name is N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID56570646
Molecular FormulaC9H17N3S2Si
Molecular Weight259.48 g/mol
Exact Mass259.06
IUPAC NameN-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SC[Si](C)(C)C)s1
InChIInChI=1S/C9H17N3S2Si/c1-5-6-10-8-11-12-9(14-8)13-7-15(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyGPKNHHCTNAMOEF-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 56570646) is N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SC[Si](C)(C)C)s1.
What is the InChIKey of N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GPKNHHCTNAMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2Si/c1-5-6-10-8-11-12-9(14-8)13-7-15(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 259.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56570646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).