N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine

C17H16FN3OS — CID 39855388

IUPACN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine
SMILESCOc1ccc(N(Cc2ccc(F)cc2)c2snnc2C)cc1
InChIInChI=1S/C17H16FN3OS/c1-12-17(23-20-19-12)21(11-13-3-5-14(18)6-4-13)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3
InChIKeyOSFTUUHQBCBDAB-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.33
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine

N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine (PubChem CID 39855388) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine
PubChem CID39855388
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine
SMILESCOc1ccc(N(Cc2ccc(F)cc2)c2snnc2C)cc1
InChIInChI=1S/C17H16FN3OS/c1-12-17(23-20-19-12)21(11-13-3-5-14(18)6-4-13)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3
InChIKeyOSFTUUHQBCBDAB-UHFFFAOYSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine (CID 39855388) is N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine is COc1ccc(N(Cc2ccc(F)cc2)c2snnc2C)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine?
The InChIKey is OSFTUUHQBCBDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12-17(23-20-19-12)21(11-13-3-5-14(18)6-4-13)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine?
N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine has a molecular weight of 329.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine is sourced from PubChem (CID 39855388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).