3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C15H24N4S2 — CID 155166713

IUPAC3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1
InChIInChI=1S/C15H24N4S2/c1-4-5-6-11-7-16-13(17-11)20-8-12-9-21-14-18-15(2,3)10-19(12)14/h9,11H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyHEGYIBJUIOMVMA-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.28
Rot. Bonds5

About 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166713) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166713
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1
InChIInChI=1S/C15H24N4S2/c1-4-5-6-11-7-16-13(17-11)20-8-12-9-21-14-18-15(2,3)10-19(12)14/h9,11H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyHEGYIBJUIOMVMA-UHFFFAOYSA-N
XLogP3.28
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[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-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155166713) is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CCCCC1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1.
What is the InChIKey of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is HEGYIBJUIOMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-4-5-6-11-7-16-13(17-11)20-8-12-9-21-14-18-15(2,3)10-19(12)14/h9,11H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 324.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).