6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole

C13H12ClN3S — CID 19209415

IUPAC6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H12ClN3S/c1-2-3-12-16-17-8-11(15-13(17)18-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3
InChIKeyBMERDYPTXIMHMT-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.06
Rot. Bonds3

About 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209415) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209415
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H12ClN3S/c1-2-3-12-16-17-8-11(15-13(17)18-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3
InChIKeyBMERDYPTXIMHMT-UHFFFAOYSA-N
XLogP4.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209415) is 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole is CCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BMERDYPTXIMHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-2-3-12-16-17-8-11(15-13(17)18-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 277.78 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).