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

C12H11Cl2N3OS2 — CID 111469551

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(CNCc1c(Cl)nc2sccn12)c1ccc(Cl)s1
InChIInChI=1S/C12H11Cl2N3OS2/c13-10-2-1-9(20-10)8(18)6-15-5-7-11(14)16-12-17(7)3-4-19-12/h1-4,8,15,18H,5-6H2
InChIKeyLSVOCBITGMBOCO-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.59
Rot. Bonds5

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

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 111469551) has the molecular formula C12H11Cl2N3OS2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID111469551
Molecular FormulaC12H11Cl2N3OS2
Molecular Weight348.28 g/mol
Exact Mass346.97
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(CNCc1c(Cl)nc2sccn12)c1ccc(Cl)s1
InChIInChI=1S/C12H11Cl2N3OS2/c13-10-2-1-9(20-10)8(18)6-15-5-7-11(14)16-12-17(7)3-4-19-12/h1-4,8,15,18H,5-6H2
InChIKeyLSVOCBITGMBOCO-UHFFFAOYSA-N
XLogP3.59
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469544
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118623
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114800
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-methylacetamide;hydrochloride
CID 115599070
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115599064
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 111104956
1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440614
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 47028740
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
CID 111469547
1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
CID 111469610

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol (CID 111469551) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol is OC(CNCc1c(Cl)nc2sccn12)c1ccc(Cl)s1.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is LSVOCBITGMBOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS2/c13-10-2-1-9(20-10)8(18)6-15-5-7-11(14)16-12-17(7)3-4-19-12/h1-4,8,15,18H,5-6H2.
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 348.28 g/mol, XLogP of 3.59, 5 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-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 111469551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).