3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine

C13H19N3S — CID 79347472

IUPAC3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H19N3S/c1-4-7-14-8-5-6-12-11(3)15-13-16(12)10(2)9-17-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyQLRYVGRYAXUENB-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.03
Rot. Bonds5

About 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine

3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine (PubChem CID 79347472) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine
PubChem CID79347472
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H19N3S/c1-4-7-14-8-5-6-12-11(3)15-13-16(12)10(2)9-17-13/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyQLRYVGRYAXUENB-UHFFFAOYSA-N
XLogP3.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine (CID 79347472) is 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine is CCCNCC=Cc1c(C)nc2scc(C)n12.
What is the InChIKey of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine?
The InChIKey is QLRYVGRYAXUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-7-14-8-5-6-12-11(3)15-13-16(12)10(2)9-17-13/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine?
3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79347472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).