3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole

C17H28N2S — CID 123974657

IUPAC3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole
SMILESCCCCC(CC)c1c(C(CC)CC)sc2nccn12
InChIInChI=1S/C17H28N2S/c1-5-9-10-14(8-4)15-16(13(6-2)7-3)20-17-18-11-12-19(15)17/h11-14H,5-10H2,1-4H3
InChIKeyDZRYZWWVADTLDK-UHFFFAOYSA-N
MW292.49 g/mol
LogP5.98
Rot. Bonds8

About 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole

3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 123974657) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole
PubChem CID123974657
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole
SMILESCCCCC(CC)c1c(C(CC)CC)sc2nccn12
InChIInChI=1S/C17H28N2S/c1-5-9-10-14(8-4)15-16(13(6-2)7-3)20-17-18-11-12-19(15)17/h11-14H,5-10H2,1-4H3
InChIKeyDZRYZWWVADTLDK-UHFFFAOYSA-N
XLogP5.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole (CID 123974657) is 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole is CCCCC(CC)c1c(C(CC)CC)sc2nccn12.
What is the InChIKey of 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is DZRYZWWVADTLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-5-9-10-14(8-4)15-16(13(6-2)7-3)20-17-18-11-12-19(15)17/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole?
3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 292.49 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 123974657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).