5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole

C14H15N3S — CID 9122833

IUPAC5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2c(C)c(-c3ccccc3)nc2s1
InChIInChI=1S/C14H15N3S/c1-3-7-12-16-17-10(2)13(15-14(17)18-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyWTZJRPNVJPTTEA-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.72
Rot. Bonds3

About 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole

5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 9122833) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID9122833
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nn2c(C)c(-c3ccccc3)nc2s1
InChIInChI=1S/C14H15N3S/c1-3-7-12-16-17-10(2)13(15-14(17)18-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyWTZJRPNVJPTTEA-UHFFFAOYSA-N
XLogP3.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole (CID 9122833) is 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole is CCCc1nn2c(C)c(-c3ccccc3)nc2s1.
What is the InChIKey of 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WTZJRPNVJPTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-3-7-12-16-17-10(2)13(15-14(17)18-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole?
5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 257.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-2-propylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 9122833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).