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

C16H19N3OS2 — CID 19209940

IUPAC6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2c(C)c(-c3ccc(OCC)cc3)nc2s1
InChIInChI=1S/C16H19N3OS2/c1-4-10-21-16-18-19-11(3)14(17-15(19)22-16)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyQXVYWPKHEAMAMB-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.67
Rot. Bonds6

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

6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209940) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209940
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2c(C)c(-c3ccc(OCC)cc3)nc2s1
InChIInChI=1S/C16H19N3OS2/c1-4-10-21-16-18-19-11(3)14(17-15(19)22-16)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10H2,1-3H3
InChIKeyQXVYWPKHEAMAMB-UHFFFAOYSA-N
XLogP4.67
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209940) is 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is CCCSc1nn2c(C)c(-c3ccc(OCC)cc3)nc2s1.
What is the InChIKey of 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QXVYWPKHEAMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-4-10-21-16-18-19-11(3)14(17-15(19)22-16)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 333.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-5-methyl-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).