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

C5H6F3N3S2 — CID 130708411

IUPACN-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S2/c1-2-9-3-10-11-4(12-3)13-5(6,7)8/h2H2,1H3,(H,9,10)
InChIKeyDKIGMPIJDCBZKB-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.58
Rot. Bonds3

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

N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130708411) has the molecular formula C5H6F3N3S2 and a molecular weight of 229.25 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID130708411
Molecular FormulaC5H6F3N3S2
Molecular Weight229.25 g/mol
Exact Mass229.00
IUPAC NameN-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S2/c1-2-9-3-10-11-4(12-3)13-5(6,7)8/h2H2,1H3,(H,9,10)
InChIKeyDKIGMPIJDCBZKB-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 130708411) is N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(SC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DKIGMPIJDCBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S2/c1-2-9-3-10-11-4(12-3)13-5(6,7)8/h2H2,1H3,(H,9,10).
What are the key properties of N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130708411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).