N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide

C22H19F6N5O2S — CID 59013751

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2nsnc2OCc2ccncc2)CC1
InChIInChI=1S/C22H19F6N5O2S/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-19(34)14-3-7-33(8-4-14)18-20(32-36-31-18)35-12-13-1-5-29-6-2-13/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H,30,34)
InChIKeyQJXXYVVXXBAXEC-UHFFFAOYSA-N
MW531.48 g/mol
LogP5.40
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide (PubChem CID 59013751) has the molecular formula C22H19F6N5O2S and a molecular weight of 531.48 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide
PubChem CID59013751
Molecular FormulaC22H19F6N5O2S
Molecular Weight531.48 g/mol
Exact Mass531.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2nsnc2OCc2ccncc2)CC1
InChIInChI=1S/C22H19F6N5O2S/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-19(34)14-3-7-33(8-4-14)18-20(32-36-31-18)35-12-13-1-5-29-6-2-13/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H,30,34)
InChIKeyQJXXYVVXXBAXEC-UHFFFAOYSA-N
XLogP5.40
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide
CID 59013881
4-[4-[(2-acetamido-4-pyridinyl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10371177
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]piperazine-1-carboxamide
CID 11756624
4-[4-[(2-amino-4-pyridinyl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 87381273
4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493078
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365521
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3-ethyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 59013787
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide (CID 59013751) is N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(c2nsnc2OCc2ccncc2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide?
The InChIKey is QJXXYVVXXBAXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N5O2S/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-19(34)14-3-7-33(8-4-14)18-20(32-36-31-18)35-12-13-1-5-29-6-2-13/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H,30,34).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide has a molecular weight of 531.48 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 59013751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).