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

C17H20F3N5O2S — CID 177337341

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCN(Cc3ccccc3OC(F)(F)F)CC2)s1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-4-2-1-3-12(13)10-25-7-5-11(6-8-25)9-14(26)22-16-24-23-15(21)28-16/h1-4,11H,5-10H2,(H2,21,23)(H,22,24,26)
InChIKeyKEGYYBRWVYSGTR-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.26
Rot. Bonds6

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 177337341) 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-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID177337341
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCN(Cc3ccccc3OC(F)(F)F)CC2)s1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-4-2-1-3-12(13)10-25-7-5-11(6-8-25)9-14(26)22-16-24-23-15(21)28-16/h1-4,11H,5-10H2,(H2,21,23)(H,22,24,26)
InChIKeyKEGYYBRWVYSGTR-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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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide (CID 177337341) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide is Nc1nnc(NC(=O)CC2CCN(Cc3ccccc3OC(F)(F)F)CC2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is KEGYYBRWVYSGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c18-17(19,20)27-13-4-2-1-3-12(13)10-25-7-5-11(6-8-25)9-14(26)22-16-24-23-15(21)28-16/h1-4,11H,5-10H2,(H2,21,23)(H,22,24,26).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-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-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 177337341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).