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

C13H12ClN3S2 — CID 19209945

IUPAC6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2cc(-c3ccccc3Cl)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-2-7-18-13-16-17-8-11(15-12(17)19-13)9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3
InChIKeyKSMISYMQBPQHQE-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.61
Rot. Bonds4

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

6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209945) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209945
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCSc1nn2cc(-c3ccccc3Cl)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-2-7-18-13-16-17-8-11(15-12(17)19-13)9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3
InChIKeyKSMISYMQBPQHQE-UHFFFAOYSA-N
XLogP4.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (CID 19209945) is 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is CCCSc1nn2cc(-c3ccccc3Cl)nc2s1.
What is the InChIKey of 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KSMISYMQBPQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-2-7-18-13-16-17-8-11(15-12(17)19-13)9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 309.85 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).