2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C18H23N3OS — CID 19209493

IUPAC2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCC(CC)c1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1
InChIInChI=1S/C18H23N3OS/c1-5-13(6-2)17-20-21-11-16(19-18(21)23-17)14-7-9-15(10-8-14)22-12(3)4/h7-13H,5-6H2,1-4H3
InChIKeyWXTSDIJVAWFRAK-UHFFFAOYSA-N
MW329.47 g/mol
LogP5.15
Rot. Bonds6

About 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209493) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209493
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCC(CC)c1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1
InChIInChI=1S/C18H23N3OS/c1-5-13(6-2)17-20-21-11-16(19-18(21)23-17)14-7-9-15(10-8-14)22-12(3)4/h7-13H,5-6H2,1-4H3
InChIKeyWXTSDIJVAWFRAK-UHFFFAOYSA-N
XLogP5.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209493) is 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCC(CC)c1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1.
What is the InChIKey of 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WXTSDIJVAWFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-5-13(6-2)17-20-21-11-16(19-18(21)23-17)14-7-9-15(10-8-14)22-12(3)4/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 329.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).