2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole

C8H6F3N3S4 — CID 133382779

IUPAC2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCCSc1nnc(Sc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C8H6F3N3S4/c1-2-15-6-13-14-7(18-6)17-5-12-4(3-16-5)8(9,10)11/h3H,2H2,1H3
InChIKeyRRLSCIZFGKRXHI-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.28
Rot. Bonds4

About 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole

2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole (PubChem CID 133382779) has the molecular formula C8H6F3N3S4 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
PubChem CID133382779
Molecular FormulaC8H6F3N3S4
Molecular Weight329.42 g/mol
Exact Mass328.94
IUPAC Name2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCCSc1nnc(Sc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C8H6F3N3S4/c1-2-15-6-13-14-7(18-6)17-5-12-4(3-16-5)8(9,10)11/h3H,2H2,1H3
InChIKeyRRLSCIZFGKRXHI-UHFFFAOYSA-N
XLogP4.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole (CID 133382779) is 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole is CCSc1nnc(Sc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
The InChIKey is RRLSCIZFGKRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S4/c1-2-15-6-13-14-7(18-6)17-5-12-4(3-16-5)8(9,10)11/h3H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole has a molecular weight of 329.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 133382779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).