N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C15H15F5N4S — CID 25054941

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1F
InChIInChI=1S/C15H15F5N4S/c16-11-2-1-9(7-12(11)17)8-24-5-3-10(4-6-24)21-14-23-22-13(25-14)15(18,19)20/h1-2,7,10H,3-6,8H2,(H,21,23)
InChIKeyIPNNGRNPXFXWPD-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.91
Rot. Bonds4

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 25054941) has the molecular formula C15H15F5N4S and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID25054941
Molecular FormulaC15H15F5N4S
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1F
InChIInChI=1S/C15H15F5N4S/c16-11-2-1-9(7-12(11)17)8-24-5-3-10(4-6-24)21-14-23-22-13(25-14)15(18,19)20/h1-2,7,10H,3-6,8H2,(H,21,23)
InChIKeyIPNNGRNPXFXWPD-UHFFFAOYSA-N
XLogP3.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 25054941) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1F.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IPNNGRNPXFXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5N4S/c16-11-2-1-9(7-12(11)17)8-24-5-3-10(4-6-24)21-14-23-22-13(25-14)15(18,19)20/h1-2,7,10H,3-6,8H2,(H,21,23).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 378.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25054941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).