2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C18H23N3S — CID 93210815

IUPAC2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3scc(C(C)C)n3c2CCN)cc1C
InChIInChI=1S/C18H23N3S/c1-11(2)16-10-22-18-20-17(15(7-8-19)21(16)18)14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8,19H2,1-4H3
InChIKeyVBGHDMHTPYFNKK-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.30
Rot. Bonds4

About 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 93210815) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID93210815
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3scc(C(C)C)n3c2CCN)cc1C
InChIInChI=1S/C18H23N3S/c1-11(2)16-10-22-18-20-17(15(7-8-19)21(16)18)14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8,19H2,1-4H3
InChIKeyVBGHDMHTPYFNKK-UHFFFAOYSA-N
XLogP4.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 93210815) is 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1ccc(-c2nc3scc(C(C)C)n3c2CCN)cc1C.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is VBGHDMHTPYFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-11(2)16-10-22-18-20-17(15(7-8-19)21(16)18)14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8,19H2,1-4H3.
What are the key properties of 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 313.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 93210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).