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

C15H16F4N4S — CID 25054684

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1
InChIInChI=1S/C15H16F4N4S/c16-11-3-1-10(2-4-11)9-23-7-5-12(6-8-23)20-14-22-21-13(24-14)15(17,18)19/h1-4,12H,5-9H2,(H,20,22)
InChIKeyCXBWNIHCHJDIQP-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.77
Rot. Bonds4

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

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 25054684) has the molecular formula C15H16F4N4S and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID25054684
Molecular FormulaC15H16F4N4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1
InChIInChI=1S/C15H16F4N4S/c16-11-3-1-10(2-4-11)9-23-7-5-12(6-8-23)20-14-22-21-13(24-14)15(17,18)19/h1-4,12H,5-9H2,(H,20,22)
InChIKeyCXBWNIHCHJDIQP-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Benzylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 661864
2-(4-benzyl-1-piperazinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 23724150
2-(4-Benzhydrylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 1289403
(5-Phenyl-[1,3,4]thiadiazol-2-yl)-(2-piperidin-1-yl-ethyl)-amine
CID 44376811
N-(1-benzylpiperidin-4-yl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821110
5-phenyl-N-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46889617
N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 14556384
3-[5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea
CID 20829913
[1-(4-Fluoro-benzyl)-piperidin-4-yl]-methyl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25022336
[1-(3-Fluoro-benzyl)-piperidin-4-yl]-methyl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054683
[1-(3,4-Difluoro-benzyl)-piperidin-4-yl]-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054941
[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 25054942

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 25054684) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CXBWNIHCHJDIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4S/c16-11-3-1-10(2-4-11)9-23-7-5-12(6-8-23)20-14-22-21-13(24-14)15(17,18)19/h1-4,12H,5-9H2,(H,20,22).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 360.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25054684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).