[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C15H15N3O3S — CID 94961567

IUPAC[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCc1nn2c(CO)c(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C15H15N3O3S/c1-2-3-13-17-18-10(7-19)14(16-15(18)22-13)9-4-5-11-12(6-9)21-8-20-11/h4-6,19H,2-3,7-8H2,1H3
InChIKeyKIGOROQVMJZVMO-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.63
Rot. Bonds4

About [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961567) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961567
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCCCc1nn2c(CO)c(-c3ccc4c(c3)OCO4)nc2s1
InChIInChI=1S/C15H15N3O3S/c1-2-3-13-17-18-10(7-19)14(16-15(18)22-13)9-4-5-11-12(6-9)21-8-20-11/h4-6,19H,2-3,7-8H2,1H3
InChIKeyKIGOROQVMJZVMO-UHFFFAOYSA-N
XLogP2.63
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219553
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 46527258

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961567) is [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is CCCc1nn2c(CO)c(-c3ccc4c(c3)OCO4)nc2s1.
What is the InChIKey of [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is KIGOROQVMJZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-3-13-17-18-10(7-19)14(16-15(18)22-13)9-4-5-11-12(6-9)21-8-20-11/h4-6,19H,2-3,7-8H2,1H3.
What are the key properties of [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 317.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).