[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol

C14H12N2O3S — CID 82061948

IUPAC[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
SMILESOCc1cn2c(-c3ccc4c(c3)OCCO4)csc2n1
InChIInChI=1S/C14H12N2O3S/c17-7-10-6-16-11(8-20-14(16)15-10)9-1-2-12-13(5-9)19-4-3-18-12/h1-2,5-6,8,17H,3-4,7H2
InChIKeyKXPJKZCXXSCCEV-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.33
Rot. Bonds2

About [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol

[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol (PubChem CID 82061948) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
PubChem CID82061948
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
SMILESOCc1cn2c(-c3ccc4c(c3)OCCO4)csc2n1
InChIInChI=1S/C14H12N2O3S/c17-7-10-6-16-11(8-20-14(16)15-10)9-1-2-12-13(5-9)19-4-3-18-12/h1-2,5-6,8,17H,3-4,7H2
InChIKeyKXPJKZCXXSCCEV-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
[3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062007
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 10661360
6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198113
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82064342
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanone
CID 83969143
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 55066745
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
7-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51645412
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 96548679
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]methanol
CID 50965548

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol (CID 82061948) is [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol is OCc1cn2c(-c3ccc4c(c3)OCCO4)csc2n1.
What is the InChIKey of [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol?
The InChIKey is KXPJKZCXXSCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-7-10-6-16-11(8-20-14(16)15-10)9-1-2-12-13(5-9)19-4-3-18-12/h1-2,5-6,8,17H,3-4,7H2.
What are the key properties of [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol?
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol has a molecular weight of 288.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol is sourced from PubChem (CID 82061948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).