N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C6H8F3N3S2 — CID 91636363

IUPACN-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-13-3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyIJDGRVURKSARCK-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 91636363) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID91636363
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC NameN-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S2/c1-13-3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyIJDGRVURKSARCK-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 91636363) is N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CSCCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IJDGRVURKSARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c1-13-3-2-10-5-12-11-4(14-5)6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 243.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91636363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).