3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine

C15H12FN3OS — CID 163323037

IUPAC3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C15H12FN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19)
InChIKeyQPZTYPJWTXSLFG-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine

3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 163323037) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID163323037
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C15H12FN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19)
InChIKeyQPZTYPJWTXSLFG-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15980696
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582800
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
4-(2,4-difluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 779211
5-Amino-3-(4-methoxyphenyl)-2-phenyl-1,2,4-tiadiazolium chloride
CID 9840052
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164614490
4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164627331
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine (CID 163323037) is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine is COc1ccc(Nc2nc(-c3ccc(F)cc3)ns2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QPZTYPJWTXSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 301.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163323037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).