[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol

C14H12N2O3S — CID 82062099

IUPAC[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
SMILESCc1sc2nc(CO)cn2c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3S/c1-8-13(16-5-10(6-17)15-14(16)20-8)9-2-3-11-12(4-9)19-7-18-11/h2-5,17H,6-7H2,1H3
InChIKeyXFPJTNFLGNIIPN-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.59
Rot. Bonds2

About [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol

[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol (PubChem CID 82062099) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
PubChem CID82062099
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
SMILESCc1sc2nc(CO)cn2c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3S/c1-8-13(16-5-10(6-17)15-14(16)20-8)9-2-3-11-12(4-9)19-7-18-11/h2-5,17H,6-7H2,1H3
InChIKeyXFPJTNFLGNIIPN-UHFFFAOYSA-N
XLogP2.59
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol with MolForge

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Related Compounds

[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82061948
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035422
ethyl 5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 59446803
5-(1,3-benzodioxol-5-yl)-1-ethyltriazole-4-carboxylic acid
CID 82207174
[6-(1,3-benzodioxol-5-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857624
[3-(2,4-dimethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061943
[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol
CID 71728747
2-(1,3-benzodioxol-5-yl)-1-hydroxy-4,5-dimethylimidazole
CID 134119166
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol (CID 82062099) is [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol is Cc1sc2nc(CO)cn2c1-c1ccc2c(c1)OCO2.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The InChIKey is XFPJTNFLGNIIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-13(16-5-10(6-17)15-14(16)20-8)9-2-3-11-12(4-9)19-7-18-11/h2-5,17H,6-7H2,1H3.
What are the key properties of [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol?
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol has a molecular weight of 288.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol is sourced from PubChem (CID 82062099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).