5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole

C17H12ClF3N2OS — CID 57434362

IUPAC5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2OS/c1-10-8-12(15-22-16(23-25-15)17(19,20)21)4-7-14(10)24-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3
InChIKeyZNEJNUIDNVKFNJ-UHFFFAOYSA-N
MW384.81 g/mol
LogP5.76
Rot. Bonds4

About 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole

5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 57434362) has the molecular formula C17H12ClF3N2OS and a molecular weight of 384.81 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID57434362
Molecular FormulaC17H12ClF3N2OS
Molecular Weight384.81 g/mol
Exact Mass384.03
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2OS/c1-10-8-12(15-22-16(23-25-15)17(19,20)21)4-7-14(10)24-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3
InChIKeyZNEJNUIDNVKFNJ-UHFFFAOYSA-N
XLogP5.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.81
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
CID 10736623
potassium [4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-trifluoroboranuide
CID 63676426
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
N-(1-amino-2,2,2-trifluoroethylidene)-4-[(4-chlorophenyl)methoxy]-3-methylbenzenecarbothioamide
CID 142185021
2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
CID 172688033
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 58510139
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
3-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methoxy]-2,6-difluorobenzamide
CID 59549533

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 57434362) is 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole is Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is ZNEJNUIDNVKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2OS/c1-10-8-12(15-22-16(23-25-15)17(19,20)21)4-7-14(10)24-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 384.81 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 57434362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).