2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol

C15H16ClN3O2S — CID 111114800

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2c(Cl)nc3sccn23)c1
InChIInChI=1S/C15H16ClN3O2S/c1-21-11-4-2-3-10(7-11)13(20)9-17-8-12-14(16)18-15-19(12)5-6-22-15/h2-7,13,17,20H,8-9H2,1H3
InChIKeyVWCGKDOJQOURIY-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.88
Rot. Bonds6

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111114800) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111114800
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCc2c(Cl)nc3sccn23)c1
InChIInChI=1S/C15H16ClN3O2S/c1-21-11-4-2-3-10(7-11)13(20)9-17-8-12-14(16)18-15-19(12)5-6-22-15/h2-7,13,17,20H,8-9H2,1H3
InChIKeyVWCGKDOJQOURIY-UHFFFAOYSA-N
XLogP2.88
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol with MolForge

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Related Compounds

6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol (CID 111114800) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCc2c(Cl)nc3sccn23)c1.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is VWCGKDOJQOURIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-21-11-4-2-3-10(7-11)13(20)9-17-8-12-14(16)18-15-19(12)5-6-22-15/h2-7,13,17,20H,8-9H2,1H3.
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 337.83 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111114800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).