3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole

C10H9ClN2O2S — CID 62335962

IUPAC3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole
SMILESCCOc1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C10H9ClN2O2S/c1-2-14-7-4-3-5-8(6-7)15-10-9(11)12-16-13-10/h3-6H,2H2,1H3
InChIKeyCAMHXXVKVIBGJT-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole

3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole (PubChem CID 62335962) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole
PubChem CID62335962
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole
SMILESCCOc1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C10H9ClN2O2S/c1-2-14-7-4-3-5-8(6-7)15-10-9(11)12-16-13-10/h3-6H,2H2,1H3
InChIKeyCAMHXXVKVIBGJT-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
4-chloro-6-(3-ethoxyphenoxy)pyrimidine
CID 55061243
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
3-chloro-4-[3-[2-(2,2,2-trichloroethyl)oxiran-2-yl]phenoxy]-1,2,5-thiadiazole
CID 139764598
2-chloro-4-(3-ethoxyphenoxy)-5-methylpyridine
CID 83266855
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-(3-ethoxyphenoxy)quinoxalin-2-amine
CID 102988134
2-chloro-6-(3-ethoxyphenoxy)pyrazine
CID 55061194
[2-(3-ethoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 62337446
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole (CID 62335962) is 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole is CCOc1cccc(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole?
The InChIKey is CAMHXXVKVIBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-2-14-7-4-3-5-8(6-7)15-10-9(11)12-16-13-10/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole has a molecular weight of 256.71 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 62335962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).