5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C10H8ClF3N4S2 — CID 24567177

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C10H8ClF3N4S2/c1-2-15-8-17-18-9(20-8)19-7-6(11)3-5(4-16-7)10(12,13)14/h3-4H,2H2,1H3,(H,15,17)
InChIKeyFXGVSJMCMKYYLI-UHFFFAOYSA-N
MW340.78 g/mol
LogP4.19
Rot. Bonds4

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 24567177) has the molecular formula C10H8ClF3N4S2 and a molecular weight of 340.78 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID24567177
Molecular FormulaC10H8ClF3N4S2
Molecular Weight340.78 g/mol
Exact Mass339.98
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C10H8ClF3N4S2/c1-2-15-8-17-18-9(20-8)19-7-6(11)3-5(4-16-7)10(12,13)14/h3-4H,2H2,1H3,(H,15,17)
InChIKeyFXGVSJMCMKYYLI-UHFFFAOYSA-N
XLogP4.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 24567177) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FXGVSJMCMKYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4S2/c1-2-15-8-17-18-9(20-8)19-7-6(11)3-5(4-16-7)10(12,13)14/h3-4H,2H2,1H3,(H,15,17).
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 340.78 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).