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

C17H19F4N5O2S — CID 177337786

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCN(Cc3ccc(F)cc3OC(F)(F)F)CC2)s1
InChIInChI=1S/C17H19F4N5O2S/c18-12-2-1-11(13(8-12)28-17(19,20)21)9-26-5-3-10(4-6-26)7-14(27)23-16-25-24-15(22)29-16/h1-2,8,10H,3-7,9H2,(H2,22,24)(H,23,25,27)
InChIKeyCMYNOQZRGBCWOE-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.40
Rot. Bonds6

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 177337786) has the molecular formula C17H19F4N5O2S and a molecular weight of 433.43 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID177337786
Molecular FormulaC17H19F4N5O2S
Molecular Weight433.43 g/mol
Exact Mass433.12
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
SMILESNc1nnc(NC(=O)CC2CCN(Cc3ccc(F)cc3OC(F)(F)F)CC2)s1
InChIInChI=1S/C17H19F4N5O2S/c18-12-2-1-11(13(8-12)28-17(19,20)21)9-26-5-3-10(4-6-26)7-14(27)23-16-25-24-15(22)29-16/h1-2,8,10H,3-7,9H2,(H2,22,24)(H,23,25,27)
InChIKeyCMYNOQZRGBCWOE-UHFFFAOYSA-N
XLogP3.40
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.40
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-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide (CID 177337786) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-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-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide is Nc1nnc(NC(=O)CC2CCN(Cc3ccc(F)cc3OC(F)(F)F)CC2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is CMYNOQZRGBCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N5O2S/c18-12-2-1-11(13(8-12)28-17(19,20)21)9-26-5-3-10(4-6-26)7-14(27)23-16-25-24-15(22)29-16/h1-2,8,10H,3-7,9H2,(H2,22,24)(H,23,25,27).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 433.43 g/mol, XLogP of 3.40, 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-fluoro-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 177337786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).