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

C17H17FN4S — CID 70975125

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccccn2)ns1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4S/c1-17(2,12-6-8-13(18)9-7-12)11-20-16-21-15(22-23-16)14-5-3-4-10-19-14/h3-10H,11H2,1-2H3,(H,20,21,22)
InChIKeyTZIHRZWSZRCLOX-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.13
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 70975125) has the molecular formula C17H17FN4S and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID70975125
Molecular FormulaC17H17FN4S
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(CNc1nc(-c2ccccn2)ns1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4S/c1-17(2,12-6-8-13(18)9-7-12)11-20-16-21-15(22-23-16)14-5-3-4-10-19-14/h3-10H,11H2,1-2H3,(H,20,21,22)
InChIKeyTZIHRZWSZRCLOX-UHFFFAOYSA-N
XLogP4.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 70975125) is N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is CC(C)(CNc1nc(-c2ccccn2)ns1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is TZIHRZWSZRCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4S/c1-17(2,12-6-8-13(18)9-7-12)11-20-16-21-15(22-23-16)14-5-3-4-10-19-14/h3-10H,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 328.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70975125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).