2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C11H7Cl2N3S2 — CID 167991953

IUPAC2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(Sc3ccc(Cl)cc3Cl)sc2n1
InChIInChI=1S/C11H7Cl2N3S2/c1-6-5-16-10(14-6)18-11(15-16)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3
InChIKeyWOMHJVSGXLYVFJ-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.56
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 167991953) has the molecular formula C11H7Cl2N3S2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID167991953
Molecular FormulaC11H7Cl2N3S2
Molecular Weight316.24 g/mol
Exact Mass314.95
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(Sc3ccc(Cl)cc3Cl)sc2n1
InChIInChI=1S/C11H7Cl2N3S2/c1-6-5-16-10(14-6)18-11(15-16)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3
InChIKeyWOMHJVSGXLYVFJ-UHFFFAOYSA-N
XLogP4.56
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 167991953) is 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(Sc3ccc(Cl)cc3Cl)sc2n1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WOMHJVSGXLYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3S2/c1-6-5-16-10(14-6)18-11(15-16)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 316.24 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 167991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).