N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide

C19H20F3N5O2S — CID 68726022

IUPACN-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1=CC=CN2SNC=C12)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N5O2S/c20-19(21,22)29-15-4-1-3-14(11-15)13-25-7-9-26(10-8-25)18(28)24-16-5-2-6-27-17(16)12-23-30-27/h1-6,11-12,23H,7-10,13H2,(H,24,28)
InChIKeyPSULCKXAWMDSIE-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.13
Rot. Bonds4

About N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide

N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 68726022) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
PubChem CID68726022
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC NameN-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1=CC=CN2SNC=C12)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N5O2S/c20-19(21,22)29-15-4-1-3-14(11-15)13-25-7-9-26(10-8-25)18(28)24-16-5-2-6-27-17(16)12-23-30-27/h1-6,11-12,23H,7-10,13H2,(H,24,28)
InChIKeyPSULCKXAWMDSIE-UHFFFAOYSA-N
XLogP3.13
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 68917706
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
1-(thiophen-3-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 74229094
[3-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl] 2,2,2-trifluoroacetate
CID 91749995
methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
CID 17087369
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2H-tetrazol-5-yl)piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 159246656
7-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515100
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 161408977
1-(4-nitrophenyl)-5-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pentane-1,5-dione
CID 148635110
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601

Frequently Asked Questions

What is the IUPAC name of N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide (CID 68726022) is N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide is O=C(NC1=CC=CN2SNC=C12)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is PSULCKXAWMDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/c20-19(21,22)29-15-4-1-3-14(11-15)13-25-7-9-26(10-8-25)18(28)24-16-5-2-6-27-17(16)12-23-30-27/h1-6,11-12,23H,7-10,13H2,(H,24,28).
What are the key properties of N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 68726022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).