N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H13F3N4S2 — CID 63736647

IUPACN,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-4-3-12-5-8(9,10)11/h12H,3-5H2,1-2H3
InChIKeyJFLYWSQPLOXKTF-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.85
Rot. Bonds6

About N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736647) has the molecular formula C8H13F3N4S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736647
Molecular FormulaC8H13F3N4S2
Molecular Weight286.35 g/mol
Exact Mass286.05
IUPAC NameN,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-4-3-12-5-8(9,10)11/h12H,3-5H2,1-2H3
InChIKeyJFLYWSQPLOXKTF-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736647) is N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNCC(F)(F)F)s1.
What is the InChIKey of N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JFLYWSQPLOXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-4-3-12-5-8(9,10)11/h12H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 286.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).