N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine

C18H18FN5S — CID 133442625

IUPACN-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESFc1ccc(NC2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1
InChIInChI=1S/C18H18FN5S/c19-13-4-6-14(7-5-13)21-15-8-11-24(12-9-15)18-23-22-17(25-18)16-3-1-2-10-20-16/h1-7,10,15,21H,8-9,11-12H2
InChIKeyHOCMXUWXOXLCPM-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.82
Rot. Bonds4

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

N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (PubChem CID 133442625) has the molecular formula C18H18FN5S and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
PubChem CID133442625
Molecular FormulaC18H18FN5S
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC NameN-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
SMILESFc1ccc(NC2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1
InChIInChI=1S/C18H18FN5S/c19-13-4-6-14(7-5-13)21-15-8-11-24(12-9-15)18-23-22-17(25-18)16-3-1-2-10-20-16/h1-7,10,15,21H,8-9,11-12H2
InChIKeyHOCMXUWXOXLCPM-UHFFFAOYSA-N
XLogP3.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine (CID 133442625) is N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is Fc1ccc(NC2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
The InChIKey is HOCMXUWXOXLCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S/c19-13-4-6-14(7-5-13)21-15-8-11-24(12-9-15)18-23-22-17(25-18)16-3-1-2-10-20-16/h1-7,10,15,21H,8-9,11-12H2.
What are the key properties of N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine?
N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 133442625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).