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

C10H9ClN2O2S — CID 80609217

IUPAC2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
SMILESCOc1ccccc1OCc1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2O2S/c1-14-7-4-2-3-5-8(7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3
InChIKeyUETALUKYGZHKGQ-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.78
Rot. Bonds4

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

2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole (PubChem CID 80609217) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
PubChem CID80609217
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
SMILESCOc1ccccc1OCc1nnc(Cl)s1
InChIInChI=1S/C10H9ClN2O2S/c1-14-7-4-2-3-5-8(7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3
InChIKeyUETALUKYGZHKGQ-UHFFFAOYSA-N
XLogP2.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80611058
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-[(2-chloro-4-fluorophenoxy)methyl]-1,3,4-thiadiazole
CID 80606949
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 80611882
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
3-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163895
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole (CID 80609217) is 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole is COc1ccccc1OCc1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole?
The InChIKey is UETALUKYGZHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-14-7-4-2-3-5-8(7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole has a molecular weight of 256.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).