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

C22H18FN3S — CID 177128149

IUPAC5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H18FN3S/c1-15-3-11-19(12-4-15)26(20-13-5-16(2)6-14-20)22-25-24-21(27-22)17-7-9-18(23)10-8-17/h3-14H,1-2H3
InChIKeyPLWJZLZOMJAOKG-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.43
Rot. Bonds4

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

5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 177128149) has the molecular formula C22H18FN3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID177128149
Molecular FormulaC22H18FN3S
Molecular Weight375.47 g/mol
Exact Mass375.12
IUPAC Name5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2nnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C22H18FN3S/c1-15-3-11-19(12-4-15)26(20-13-5-16(2)6-14-20)22-25-24-21(27-22)17-7-9-18(23)10-8-17/h3-14H,1-2H3
InChIKeyPLWJZLZOMJAOKG-UHFFFAOYSA-N
XLogP6.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 1451553
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
N-ethyl-3-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3328074
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 3555790
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 82476029
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 177128149) is 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2nnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PLWJZLZOMJAOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3S/c1-15-3-11-19(12-4-15)26(20-13-5-16(2)6-14-20)22-25-24-21(27-22)17-7-9-18(23)10-8-17/h3-14H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 375.47 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 177128149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).