[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C13H12ClN3O2S — CID 94961578

IUPAC[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(COc3ccccc3Cl)nn2c1CO
InChIInChI=1S/C13H12ClN3O2S/c1-8-10(6-18)17-13(15-8)20-12(16-17)7-19-11-5-3-2-4-9(11)14/h2-5,18H,6-7H2,1H3
InChIKeyTUTFNORQJNZFCA-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.82
Rot. Bonds4

About [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961578) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961578
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(COc3ccccc3Cl)nn2c1CO
InChIInChI=1S/C13H12ClN3O2S/c1-8-10(6-18)17-13(15-8)20-12(16-17)7-19-11-5-3-2-4-9(11)14/h2-5,18H,6-7H2,1H3
InChIKeyTUTFNORQJNZFCA-UHFFFAOYSA-N
XLogP2.82
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-chlorophenoxy)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313671
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897427
6-[(2-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313653
3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 22332332
2-[3-(2-chlorophenoxy)propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198243
6-[(2-chlorophenoxy)methyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4895175
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219731
2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163353
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179
3-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163895

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961578) is [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1nc2sc(COc3ccccc3Cl)nn2c1CO.
What is the InChIKey of [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is TUTFNORQJNZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-8-10(6-18)17-13(15-8)20-12(16-17)7-19-11-5-3-2-4-9(11)14/h2-5,18H,6-7H2,1H3.
What are the key properties of [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 309.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).