3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine

C16H12F3N3OS — CID 163323075

IUPAC3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C16H12F3N3OS/c1-23-13-4-2-3-10(9-13)14-21-15(24-22-14)20-12-7-5-11(6-8-12)16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyMWZDZCPMTJDWER-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.98
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine

3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 163323075) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID163323075
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C16H12F3N3OS/c1-23-13-4-2-3-10(9-13)14-21-15(24-22-14)20-12-7-5-11(6-8-12)16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyMWZDZCPMTJDWER-UHFFFAOYSA-N
XLogP4.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582801
1,2,4-Thiadiazolium, 5-amino-3-(4-methoxyphenyl)-2-phenyl-
CID 482604
5-Amino-3-(4-methoxyphenyl)-2-phenyl-1,2,4-tiadiazolium chloride
CID 9840052
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)piperazine-1-carboxamide
CID 2809271
1-(4-Methoxy-phenyl)-3-(3-phenyl-[1,2,4]thiadiazol-5-yl)-urea
CID 10758495
2-benzyl-N-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine chloride
CID 15317369
N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686709
3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 71686714
4-chloro-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164625519
5-[(4-Methoxyphenyl)amino]-2-(4-methylphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium
CID 1601138
1-(2-Methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10711230
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 164615307

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (CID 163323075) is 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is COc1cccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MWZDZCPMTJDWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c1-23-13-4-2-3-10(9-13)14-21-15(24-22-14)20-12-7-5-11(6-8-12)16(17,18)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 351.35 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163323075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).