2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol

C11H13N5OS — CID 113461384

IUPAC2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cn3ccsc3n2)nn1
InChIInChI=1S/C11H13N5OS/c1-11(2,17)9-7-16(14-13-9)6-8-5-15-3-4-18-10(15)12-8/h3-5,7,17H,6H2,1-2H3
InChIKeyXDPJVAQMTOEDOY-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.26
Rot. Bonds3

About 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol

2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol (PubChem CID 113461384) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol
PubChem CID113461384
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cn3ccsc3n2)nn1
InChIInChI=1S/C11H13N5OS/c1-11(2,17)9-7-16(14-13-9)6-8-5-15-3-4-18-10(15)12-8/h3-5,7,17H,6H2,1-2H3
InChIKeyXDPJVAQMTOEDOY-UHFFFAOYSA-N
XLogP1.26
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid
CID 116735089
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115334632
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
5-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335314
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 115332686
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propan-2-yltriazol-4-amine
CID 113289497
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol (CID 113461384) is 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(Cc2cn3ccsc3n2)nn1.
What is the InChIKey of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol?
The InChIKey is XDPJVAQMTOEDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-11(2,17)9-7-16(14-13-9)6-8-5-15-3-4-18-10(15)12-8/h3-5,7,17H,6H2,1-2H3.
What are the key properties of 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol?
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol has a molecular weight of 263.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 113461384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).