3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine

C18H17F2N3S — CID 70974837

IUPAC3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2N3S/c1-18(2,13-5-9-15(20)10-6-13)11-21-17-22-16(23-24-17)12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyCMTVZDPEYXOSNS-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.87
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine

3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine (PubChem CID 70974837) has the molecular formula C18H17F2N3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
PubChem CID70974837
Molecular FormulaC18H17F2N3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2N3S/c1-18(2,13-5-9-15(20)10-6-13)11-21-17-22-16(23-24-17)12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyCMTVZDPEYXOSNS-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine (CID 70974837) is 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine is CC(C)(CNc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CMTVZDPEYXOSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3S/c1-18(2,13-5-9-15(20)10-6-13)11-21-17-22-16(23-24-17)12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine?
3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 345.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70974837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).