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

C8H14F3N3S2Si — CID 56529596

IUPACN-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C8H14F3N3S2Si/c1-17(2,3)5-15-7-14-13-6(16-7)12-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyKJNJDQSNYJVTPU-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.48
Rot. Bonds5

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

N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 56529596) has the molecular formula C8H14F3N3S2Si and a molecular weight of 301.44 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID56529596
Molecular FormulaC8H14F3N3S2Si
Molecular Weight301.44 g/mol
Exact Mass301.04
IUPAC NameN-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC[Si](C)(C)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C8H14F3N3S2Si/c1-17(2,3)5-15-7-14-13-6(16-7)12-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyKJNJDQSNYJVTPU-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.48
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

5-propan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48914971
5-butan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60333936
5-ethylsulfanyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 60605231
N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130708411
N-ethyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529267
N-propyl-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 56529301

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 56529596) is N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is C[Si](C)(C)CSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KJNJDQSNYJVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3S2Si/c1-17(2,3)5-15-7-14-13-6(16-7)12-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 301.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-5-(trimethylsilylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56529596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).