6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

C14H14FN3S2 — CID 19209932

IUPAC6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C14H14FN3S2/c1-3-8-19-14-17-18-9(2)12(16-13(18)20-14)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyZDSGQCBGYFFCLR-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.41
Rot. Bonds4

About 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209932) has the molecular formula C14H14FN3S2 and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209932
Molecular FormulaC14H14FN3S2
Molecular Weight307.42 g/mol
Exact Mass307.06
IUPAC Name6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C14H14FN3S2/c1-3-8-19-14-17-18-9(2)12(16-13(18)20-14)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyZDSGQCBGYFFCLR-UHFFFAOYSA-N
XLogP4.41
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209932) is 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is CCCSc1nn2c(C)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZDSGQCBGYFFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S2/c1-3-8-19-14-17-18-9(2)12(16-13(18)20-14)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 307.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).