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

C14H21N3S — CID 79329080

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1c(C)nc2sc(C)cn12)CC
InChIInChI=1S/C14H21N3S/c1-5-12(8-15-6-2)7-13-11(4)16-14-17(13)9-10(3)18-14/h7,9,15H,5-6,8H2,1-4H3
InChIKeyMXXKWODGMPIMKC-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.42
Rot. Bonds5

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

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine (PubChem CID 79329080) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
PubChem CID79329080
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1c(C)nc2sc(C)cn12)CC
InChIInChI=1S/C14H21N3S/c1-5-12(8-15-6-2)7-13-11(4)16-14-17(13)9-10(3)18-14/h7,9,15H,5-6,8H2,1-4H3
InChIKeyMXXKWODGMPIMKC-UHFFFAOYSA-N
XLogP3.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine (CID 79329080) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine is CCNCC(=Cc1c(C)nc2sc(C)cn12)CC.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
The InChIKey is MXXKWODGMPIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-12(8-15-6-2)7-13-11(4)16-14-17(13)9-10(3)18-14/h7,9,15H,5-6,8H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-ethylbutan-1-amine is sourced from PubChem (CID 79329080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).