[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C20H19N3S — CID 82367601

IUPAC[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C20H19N3S/c1-2-14-8-10-16(11-9-14)19-17(12-21)23-13-18(24-20(23)22-19)15-6-4-3-5-7-15/h3-11,13H,2,12,21H2,1H3
InChIKeyZKLGKQQUDTXQKK-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.75
Rot. Bonds4

About [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 82367601) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID82367601
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C20H19N3S/c1-2-14-8-10-16(11-9-14)19-17(12-21)23-13-18(24-20(23)22-19)15-6-4-3-5-7-15/h3-11,13H,2,12,21H2,1H3
InChIKeyZKLGKQQUDTXQKK-UHFFFAOYSA-N
XLogP4.75
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 82367601) is [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1.
What is the InChIKey of [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is ZKLGKQQUDTXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-2-14-8-10-16(11-9-14)19-17(12-21)23-13-18(24-20(23)22-19)15-6-4-3-5-7-15/h3-11,13H,2,12,21H2,1H3.
What are the key properties of [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 333.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 82367601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).