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

C13H14ClN3OS2 — CID 111440614

IUPAC1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1c(Cl)nc2sccn12)c1cccs1
InChIInChI=1S/C13H14ClN3OS2/c1-13(18,10-3-2-5-19-10)8-15-7-9-11(14)16-12-17(9)4-6-20-12/h2-6,15,18H,7-8H2,1H3
InChIKeyNBBACWWKZHTAOP-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.11
Rot. Bonds5

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

1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 111440614) has the molecular formula C13H14ClN3OS2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
PubChem CID111440614
Molecular FormulaC13H14ClN3OS2
Molecular Weight327.86 g/mol
Exact Mass327.03
IUPAC Name1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1c(Cl)nc2sccn12)c1cccs1
InChIInChI=1S/C13H14ClN3OS2/c1-13(18,10-3-2-5-19-10)8-15-7-9-11(14)16-12-17(9)4-6-20-12/h2-6,15,18H,7-8H2,1H3
InChIKeyNBBACWWKZHTAOP-UHFFFAOYSA-N
XLogP3.11
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol with MolForge

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Related Compounds

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115599064
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]-N-methylacetamide;hydrochloride
CID 115599070
3-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 111104956
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469551
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114800
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 47028740
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 115614598
4-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]benzonitrile
CID 111440639

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol (CID 111440614) is 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol is CC(O)(CNCc1c(Cl)nc2sccn12)c1cccs1.
What is the InChIKey of 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is NBBACWWKZHTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS2/c1-13(18,10-3-2-5-19-10)8-15-7-9-11(14)16-12-17(9)4-6-20-12/h2-6,15,18H,7-8H2,1H3.
What are the key properties of 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol?
1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 327.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 111440614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).