5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole

C15H11ClN2OS — CID 8006692

IUPAC5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole
SMILESClc1snnc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-15-14(17-18-20-15)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyCZITXQVNXKVRPM-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole

5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole (PubChem CID 8006692) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole
PubChem CID8006692
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole
SMILESClc1snnc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-15-14(17-18-20-15)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyCZITXQVNXKVRPM-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Tert-butyl-3-fluorophenoxy)methyl]-5-chlorothiadiazole
CID 170931541
5-Chloro-4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]thiadiazole
CID 174271625
5-Chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
CID 43407909
5-Chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
CID 43407910
5-Chloro-4-[(4-fluorophenoxy)methyl]thiadiazole
CID 43407919
5-Chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43407938
5-Chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43408003
5-Chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43409194
2-[(5-Chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile
CID 43625665
[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 51110491
5-Chloro-4-[(2-fluoro-5-methylphenoxy)methyl]thiadiazole
CID 64855206
4-[(5-Chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile
CID 78952688

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole (CID 8006692) is 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole is Clc1snnc1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole?
The InChIKey is CZITXQVNXKVRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-15-14(17-18-20-15)10-19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole?
5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole has a molecular weight of 302.79 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-phenylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 8006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).