N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine

C13H21N3S2 — CID 115639200

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C13H21N3S2/c1-10-9-16-12(11(2)15-13(16)18-10)8-14-6-4-5-7-17-3/h9,14H,4-8H2,1-3H3
InChIKeyOEZIZQPGMGLFSO-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.25
Rot. Bonds7

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine (PubChem CID 115639200) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
PubChem CID115639200
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C13H21N3S2/c1-10-9-16-12(11(2)15-13(16)18-10)8-14-6-4-5-7-17-3/h9,14H,4-8H2,1-3H3
InChIKeyOEZIZQPGMGLFSO-UHFFFAOYSA-N
XLogP3.25
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-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 N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine (CID 115639200) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine is CSCCCCNCc1c(C)nc2sc(C)cn12.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is OEZIZQPGMGLFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-10-9-16-12(11(2)15-13(16)18-10)8-14-6-4-5-7-17-3/h9,14H,4-8H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 283.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115639200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).