2-(4-chlorophenoxy)-1,3,4-thiadiazole

C8H5ClN2OS — CID 134106429

IUPAC2-(4-chlorophenoxy)-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nncs2)cc1
InChIInChI=1S/C8H5ClN2OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H
InChIKeyPDPLDUMSNBOQQH-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-chlorophenoxy)-1,3,4-thiadiazole

2-(4-chlorophenoxy)-1,3,4-thiadiazole (PubChem CID 134106429) has the molecular formula C8H5ClN2OS and a molecular weight of 212.66 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,3,4-thiadiazole
PubChem CID134106429
Molecular FormulaC8H5ClN2OS
Molecular Weight212.66 g/mol
Exact Mass211.98
IUPAC Name2-(4-chlorophenoxy)-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nncs2)cc1
InChIInChI=1S/C8H5ClN2OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H
InChIKeyPDPLDUMSNBOQQH-UHFFFAOYSA-N
XLogP2.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
CID 64624275
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-(4-chlorophenoxy)-4-methyl-1,3-thiazole
CID 117189244
2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
CID 117190378
2-(4-chlorophenoxy)-4-(trifluoromethyl)-1,3-thiazole
CID 133381573
4-chloro-2-(4-chlorophenoxy)pyrimidine
CID 22675151
3-(4-chlorophenoxy)pyridazine
CID 54052757
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
2-(3-azidophenoxy)-1,3,4-thiadiazole
CID 169325618
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
CID 5065856
3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
CID 81036456

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenoxy)-1,3,4-thiadiazole (CID 134106429) is 2-(4-chlorophenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenoxy)-1,3,4-thiadiazole is Clc1ccc(Oc2nncs2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1,3,4-thiadiazole?
The InChIKey is PDPLDUMSNBOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H.
What are the key properties of 2-(4-chlorophenoxy)-1,3,4-thiadiazole?
2-(4-chlorophenoxy)-1,3,4-thiadiazole has a molecular weight of 212.66 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 134106429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).