2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C15H15Cl2N3S — CID 39195226

IUPAC2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCc1sc2ncc(CCN)n2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3S/c1-2-13-14(9-3-4-11(16)12(17)7-9)20-10(5-6-18)8-19-15(20)21-13/h3-4,7-8H,2,5-6,18H2,1H3
InChIKeyRQNPEEVRBWXJAY-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.43
Rot. Bonds4

About 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195226) has the molecular formula C15H15Cl2N3S and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195226
Molecular FormulaC15H15Cl2N3S
Molecular Weight340.28 g/mol
Exact Mass339.04
IUPAC Name2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCc1sc2ncc(CCN)n2c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3S/c1-2-13-14(9-3-4-11(16)12(17)7-9)20-10(5-6-18)8-19-15(20)21-13/h3-4,7-8H,2,5-6,18H2,1H3
InChIKeyRQNPEEVRBWXJAY-UHFFFAOYSA-N
XLogP4.43
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195226) is 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CCc1sc2ncc(CCN)n2c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is RQNPEEVRBWXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3S/c1-2-13-14(9-3-4-11(16)12(17)7-9)20-10(5-6-18)8-19-15(20)21-13/h3-4,7-8H,2,5-6,18H2,1H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 340.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).