3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol

C11H16ClN3OS2 — CID 111104956

IUPAC3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3OS2/c12-10-9(15-3-7-18-11(15)14-10)8-13-2-6-17-5-1-4-16/h3,7,13,16H,1-2,4-6,8H2
InChIKeyDXPFIJNGRIBLQH-UHFFFAOYSA-N
MW305.86 g/mol
LogP2.25
Rot. Bonds8

About 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol

3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol (PubChem CID 111104956) has the molecular formula C11H16ClN3OS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
PubChem CID111104956
Molecular FormulaC11H16ClN3OS2
Molecular Weight305.86 g/mol
Exact Mass305.04
IUPAC Name3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3OS2/c12-10-9(15-3-7-18-11(15)14-10)8-13-2-6-17-5-1-4-16/h3,7,13,16H,1-2,4-6,8H2
InChIKeyDXPFIJNGRIBLQH-UHFFFAOYSA-N
XLogP2.25
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.86
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115599064
3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66128131
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-methylacetamide;hydrochloride
CID 115599070
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469551
1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440614
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118623
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 47028740
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 115614598

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol (CID 111104956) is 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol is OCCCSCCNCc1c(Cl)nc2sccn12.
What is the InChIKey of 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol?
The InChIKey is DXPFIJNGRIBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS2/c12-10-9(15-3-7-18-11(15)14-10)8-13-2-6-17-5-1-4-16/h3,7,13,16H,1-2,4-6,8H2.
What are the key properties of 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol?
3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol has a molecular weight of 305.86 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 111104956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).