4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine

C11H15N3S — CID 76997349

IUPAC4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine
SMILESCc1nc2scc(C)n2c1C=CCCN
InChIInChI=1S/C11H15N3S/c1-8-7-15-11-13-9(2)10(14(8)11)5-3-4-6-12/h3,5,7H,4,6,12H2,1-2H3
InChIKeyNSFOIYUBFMNUOS-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.37
Rot. Bonds3

About 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine

4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine (PubChem CID 76997349) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine
PubChem CID76997349
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine
SMILESCc1nc2scc(C)n2c1C=CCCN
InChIInChI=1S/C11H15N3S/c1-8-7-15-11-13-9(2)10(14(8)11)5-3-4-6-12/h3,5,7H,4,6,12H2,1-2H3
InChIKeyNSFOIYUBFMNUOS-UHFFFAOYSA-N
XLogP2.37
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine (CID 76997349) is 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine is Cc1nc2scc(C)n2c1C=CCCN.
What is the InChIKey of 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine?
The InChIKey is NSFOIYUBFMNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-7-15-11-13-9(2)10(14(8)11)5-3-4-6-12/h3,5,7H,4,6,12H2,1-2H3.
What are the key properties of 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine?
4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 76997349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).