2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole

C11H11ClN2O3S — CID 80611058

IUPAC2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
SMILESCOc1cccc(OC)c1OCc1nnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S/c1-15-7-4-3-5-8(16-2)10(7)17-6-9-13-14-11(12)18-9/h3-5H,6H2,1-2H3
InChIKeyYOKFQTPXIPJVRH-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole

2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole (PubChem CID 80611058) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
PubChem CID80611058
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
SMILESCOc1cccc(OC)c1OCc1nnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S/c1-15-7-4-3-5-8(16-2)10(7)17-6-9-13-14-11(12)18-9/h3-5H,6H2,1-2H3
InChIKeyYOKFQTPXIPJVRH-UHFFFAOYSA-N
XLogP2.79
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3,4-thiadiazole
CID 80607055
2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole
CID 80606530
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-chloro-5-[(2-chloro-4-fluorophenoxy)methyl]-1,3,4-thiadiazole
CID 80606949
2-(2-chloroethyl)-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39420176
[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765829
2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 80611882
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole (CID 80611058) is 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole is COc1cccc(OC)c1OCc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole?
The InChIKey is YOKFQTPXIPJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-15-7-4-3-5-8(16-2)10(7)17-6-9-13-14-11(12)18-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole has a molecular weight of 286.74 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80611058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).