2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol

C12H18N2O2S — CID 115335237

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)(CO)Cc1cn2ccsc2n1
InChIInChI=1S/C12H18N2O2S/c1-9(2)12(7-15,8-16)5-10-6-14-3-4-17-11(14)13-10/h3-4,6,9,15-16H,5,7-8H2,1-2H3
InChIKeySLBAROGJLYBALF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.57
Rot. Bonds5

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol (PubChem CID 115335237) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
PubChem CID115335237
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)(CO)Cc1cn2ccsc2n1
InChIInChI=1S/C12H18N2O2S/c1-9(2)12(7-15,8-16)5-10-6-14-3-4-17-11(14)13-10/h3-4,6,9,15-16H,5,7-8H2,1-2H3
InChIKeySLBAROGJLYBALF-UHFFFAOYSA-N
XLogP1.57
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
CID 115335151
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutanoic acid
CID 103974349
2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
CID 115334306
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-(methoxymethyl)butan-2-ol
CID 115332886
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol (CID 115335237) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol is CC(C)C(CO)(CO)Cc1cn2ccsc2n1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol?
The InChIKey is SLBAROGJLYBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)12(7-15,8-16)5-10-6-14-3-4-17-11(14)13-10/h3-4,6,9,15-16H,5,7-8H2,1-2H3.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol has a molecular weight of 254.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol is sourced from PubChem (CID 115335237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).