N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F4N4S — CID 178170928

IUPACN-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESF[C@@H]1CNCC[C@@H]1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F4N4S/c9-4-3-13-2-1-5(4)14-7-16-15-6(17-7)8(10,11)12/h4-5,13H,1-3H2,(H,14,16)/t4-,5+/m1/s1
InChIKeyJXOOZOKUARVKPC-UHNVWZDZSA-N
MW270.26 g/mol
LogP1.67
Rot. Bonds2

About N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 178170928) has the molecular formula C8H10F4N4S and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID178170928
Molecular FormulaC8H10F4N4S
Molecular Weight270.26 g/mol
Exact Mass270.06
IUPAC NameN-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESF[C@@H]1CNCC[C@@H]1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F4N4S/c9-4-3-13-2-1-5(4)14-7-16-15-6(17-7)8(10,11)12/h4-5,13H,1-3H2,(H,14,16)/t4-,5+/m1/s1
InChIKeyJXOOZOKUARVKPC-UHNVWZDZSA-N
XLogP1.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
trans-(1R,2R)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
CID 102738771
(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
CID 102986633
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 103688269
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 178170928) is N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is F[C@@H]1CNCC[C@@H]1Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JXOOZOKUARVKPC-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H10F4N4S/c9-4-3-13-2-1-5(4)14-7-16-15-6(17-7)8(10,11)12/h4-5,13H,1-3H2,(H,14,16)/t4-,5+/m1/s1.
What are the key properties of N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 270.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 178170928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).