2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine

C12H17N3S — CID 79322396

IUPAC2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1c(C)nc2scc(C)n12)CN
InChIInChI=1S/C12H17N3S/c1-4-10(6-13)5-11-9(3)14-12-15(11)8(2)7-16-12/h5,7H,4,6,13H2,1-3H3
InChIKeySLXSHIXDKKHJLH-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.76
Rot. Bonds3

About 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine

2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79322396) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79322396
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1c(C)nc2scc(C)n12)CN
InChIInChI=1S/C12H17N3S/c1-4-10(6-13)5-11-9(3)14-12-15(11)8(2)7-16-12/h5,7H,4,6,13H2,1-3H3
InChIKeySLXSHIXDKKHJLH-UHFFFAOYSA-N
XLogP2.76
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine 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 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (CID 79322396) is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is CCC(=Cc1c(C)nc2scc(C)n12)CN.
What is the InChIKey of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is SLXSHIXDKKHJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10(6-13)5-11-9(3)14-12-15(11)8(2)7-16-12/h5,7H,4,6,13H2,1-3H3.
What are the key properties of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79322396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).