N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide

C17H20F3N5O2S — CID 177337343

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)s1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-5-3-11(4-6-13)9-25-7-1-2-12(10-25)8-14(26)22-16-24-23-15(21)28-16/h3-6,12H,1-2,7-10H2,(H2,21,23)(H,22,24,26)
InChIKeyIMRQEYDAZMRTFP-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.26
Rot. Bonds6

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 177337343) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID177337343
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)s1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-5-3-11(4-6-13)9-25-7-1-2-12(10-25)8-14(26)22-16-24-23-15(21)28-16/h3-6,12H,1-2,7-10H2,(H2,21,23)(H,22,24,26)
InChIKeyIMRQEYDAZMRTFP-UHFFFAOYSA-N
XLogP3.26
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 177337298
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
2-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 177337378
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
N-pyrrolidin-1-yl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 24958593
2-[1-[(4-methoxycarbonylphenyl)methyl]piperidin-3-yl]acetic acid
CID 65060247
(3R)-1-[(4-fluorophenyl)methyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 100736674

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide (CID 177337343) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide is Nc1nnc(NC(=O)CC2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is IMRQEYDAZMRTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-5-3-11(4-6-13)9-25-7-1-2-12(10-25)8-14(26)22-16-24-23-15(21)28-16/h3-6,12H,1-2,7-10H2,(H2,21,23)(H,22,24,26).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 177337343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).