N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide

C20H20F2N6O2S — CID 51135794

IUPACN-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide
SMILESO=C(CN1CCN(c2nc3cccnc3s2)CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N6O2S/c21-14-4-3-13(10-15(14)22)25-17(29)11-24-18(30)12-27-6-8-28(9-7-27)20-26-16-2-1-5-23-19(16)31-20/h1-5,10H,6-9,11-12H2,(H,24,30)(H,25,29)
InChIKeyPERGRCXRIJVLJE-UHFFFAOYSA-N
MW446.48 g/mol
LogP1.85
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 51135794) has the molecular formula C20H20F2N6O2S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide
PubChem CID51135794
Molecular FormulaC20H20F2N6O2S
Molecular Weight446.48 g/mol
Exact Mass446.13
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide
SMILESO=C(CN1CCN(c2nc3cccnc3s2)CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N6O2S/c21-14-4-3-13(10-15(14)22)25-17(29)11-24-18(30)12-27-6-8-28(9-7-27)20-26-16-2-1-5-23-19(16)31-20/h1-5,10H,6-9,11-12H2,(H,24,30)(H,25,29)
InChIKeyPERGRCXRIJVLJE-UHFFFAOYSA-N
XLogP1.85
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide 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

N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
2-(3,4-difluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56535635
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 138993730
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
2-[[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16597959
N-(3-methylsulfanylphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
CID 53084424
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-(3-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
CID 53111755
N-(4-methoxyphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
CID 53111680
N-(2,6-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084515
4-fluoro-N-methyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 56535583

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide (CID 51135794) is N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide is O=C(CN1CCN(c2nc3cccnc3s2)CC1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is PERGRCXRIJVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2S/c21-14-4-3-13(10-15(14)22)25-17(29)11-24-18(30)12-27-6-8-28(9-7-27)20-26-16-2-1-5-23-19(16)31-20/h1-5,10H,6-9,11-12H2,(H,24,30)(H,25,29).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 446.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 51135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).