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

C16H11F3N4O2S — CID 55810675

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-11-6-4-10(5-7-11)9-13(24)21-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8H,9H2,(H,21,23,24)
InChIKeyRSFOIMJGPUGQKO-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.68
Rot. Bonds5

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

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 55810675) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID55810675
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-11-6-4-10(5-7-11)9-13(24)21-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8H,9H2,(H,21,23,24)
InChIKeyRSFOIMJGPUGQKO-UHFFFAOYSA-N
XLogP3.68
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Telaglenastat
CID 71577426
CID 118211492
CID 118211492
N-[6-[[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155549004
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 91820682
N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211419
N-[5-[1-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211998
N-[6-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118212115
N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118212142
US10344025, Example 32
CID 118646596
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 126740610
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 55810675) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RSFOIMJGPUGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)25-11-6-4-10(5-7-11)9-13(24)21-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8H,9H2,(H,21,23,24).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 380.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 55810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).