3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

C22H18F4N4O2S — CID 139302369

IUPAC3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCc4nc(N)sc4C3)c2)ccc1F
InChIInChI=1S/C22H18F4N4O2S/c1-11-8-13(3-5-15(11)23)28-19(31)12-2-4-16(24)14(9-12)22(25,26)20(32)30-7-6-17-18(10-30)33-21(27)29-17/h2-5,8-9H,6-7,10H2,1H3,(H2,27,29)(H,28,31)
InChIKeyZICBTWHRGCLYHY-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.24
Rot. Bonds4

About 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide

3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 139302369) has the molecular formula C22H18F4N4O2S and a molecular weight of 478.47 g/mol. Its IUPAC name is 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID139302369
Molecular FormulaC22H18F4N4O2S
Molecular Weight478.47 g/mol
Exact Mass478.11
IUPAC Name3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCc4nc(N)sc4C3)c2)ccc1F
InChIInChI=1S/C22H18F4N4O2S/c1-11-8-13(3-5-15(11)23)28-19(31)12-2-4-16(24)14(9-12)22(25,26)20(32)30-7-6-17-18(10-30)33-21(27)29-17/h2-5,8-9H,6-7,10H2,1H3,(H2,27,29)(H,28,31)
InChIKeyZICBTWHRGCLYHY-UHFFFAOYSA-N
XLogP4.24
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide with MolForge

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Related Compounds

3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 139301896
3-[1,1-difluoro-2-[2-(methylsulfanylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 142605743
4-chloro-3-[2-(3,6-dihydro-2H-pyridin-1-yl)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 138688547
4-chloro-3-[2-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302775
3-[1,1-difluoro-2-[(5R)-3-(morpholine-4-carbonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302032
3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-(1,2-dihydroxyethyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 138688435
3-[2-[(1R,2S,5R,7S)-7-amino-2-methyl-9-azabicyclo[3.3.1]nonan-9-yl]-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 166970271
2-[1,1-difluoro-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;3-[1,1-difluoro-2-(4-methylidene-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(7-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-morpholin-4-ylpiperidin-1-yl)prop-2-enyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 163779135
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 172661454
3-[2-(4-acetamido-3,3-dimethylpiperidin-1-yl)-1,1-difluoro-2-oxoethyl]-4-amino-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide;3-[1,1-difluoro-2-(4-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-11-yl)-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 158455562
2-[1,1-difluoro-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 161020207

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide (CID 139302369) is 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)C(=O)N3CCc4nc(N)sc4C3)c2)ccc1F.
What is the InChIKey of 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is ZICBTWHRGCLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2S/c1-11-8-13(3-5-15(11)23)28-19(31)12-2-4-16(24)14(9-12)22(25,26)20(32)30-7-6-17-18(10-30)33-21(27)29-17/h2-5,8-9H,6-7,10H2,1H3,(H2,27,29)(H,28,31).
What are the key properties of 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide?
3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 478.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 139302369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).