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

C13H19N3S — CID 79323524

IUPAC2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
SMILESCc1nc2scc(C)n2c1C=C(CN)C(C)C
InChIInChI=1S/C13H19N3S/c1-8(2)11(6-14)5-12-10(4)15-13-16(12)9(3)7-17-13/h5,7-8H,6,14H2,1-4H3
InChIKeyMWJYVQOSMFMURE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.01
Rot. Bonds3

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

2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine (PubChem CID 79323524) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
PubChem CID79323524
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
SMILESCc1nc2scc(C)n2c1C=C(CN)C(C)C
InChIInChI=1S/C13H19N3S/c1-8(2)11(6-14)5-12-10(4)15-13-16(12)9(3)7-17-13/h5,7-8H,6,14H2,1-4H3
InChIKeyMWJYVQOSMFMURE-UHFFFAOYSA-N
XLogP3.01
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine (CID 79323524) is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine is Cc1nc2scc(C)n2c1C=C(CN)C(C)C.
What is the InChIKey of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine?
The InChIKey is MWJYVQOSMFMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-8(2)11(6-14)5-12-10(4)15-13-16(12)9(3)7-17-13/h5,7-8H,6,14H2,1-4H3.
What are the key properties of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine?
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.01, 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]-3-methylbutan-1-amine is sourced from PubChem (CID 79323524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).