N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride

C20H25ClF2N4O3S — CID 172547175

IUPACN-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCNC(Oc2c(-c3csc(N4CCOCC4)n3)ccc(F)c2F)C1.Cl
InChIInChI=1S/C20H24F2N4O3S.ClH/c1-12(27)24-13-4-5-23-17(10-13)29-19-14(2-3-15(21)18(19)22)16-11-30-20(25-16)26-6-8-28-9-7-26;/h2-3,11,13,17,23H,4-10H2,1H3,(H,24,27);1H
InChIKeyBLACXTGBLBYMCN-UHFFFAOYSA-N
MW474.96 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride

N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride (PubChem CID 172547175) has the molecular formula C20H25ClF2N4O3S and a molecular weight of 474.96 g/mol. Its IUPAC name is N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
PubChem CID172547175
Molecular FormulaC20H25ClF2N4O3S
Molecular Weight474.96 g/mol
Exact Mass474.13
IUPAC NameN-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)NC1CCNC(Oc2c(-c3csc(N4CCOCC4)n3)ccc(F)c2F)C1.Cl
InChIInChI=1S/C20H24F2N4O3S.ClH/c1-12(27)24-13-4-5-23-17(10-13)29-19-14(2-3-15(21)18(19)22)16-11-30-20(25-16)26-6-8-28-9-7-26;/h2-3,11,13,17,23H,4-10H2,1H3,(H,24,27);1H
InChIKeyBLACXTGBLBYMCN-UHFFFAOYSA-N
XLogP2.94
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]cyclobutyl]amino]-4-oxobutanoic acid
CID 167512997
2-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 155011874
N-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]cyclobutyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide
CID 172547183
tert-butyl N-[8-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]octyl]carbamate
CID 171565050
4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
CID 167513296
6-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]hexyl N-tert-butylcarbamate
CID 175187545
2-[2-[2-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 166755042
[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
CID 167513301
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
N-[3-[3-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-3-methylbutoxy]-3-methylbutyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide
CID 174340827
(2S,4R)-1-[(2S)-2-[[4-[3-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]piperidin-1-yl]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167513061
3-amino-N-[4-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]butyl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide;hydrochloride
CID 155011869

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride (CID 172547175) is N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride is CC(=O)NC1CCNC(Oc2c(-c3csc(N4CCOCC4)n3)ccc(F)c2F)C1.Cl.
What is the InChIKey of N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is BLACXTGBLBYMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3S.ClH/c1-12(27)24-13-4-5-23-17(10-13)29-19-14(2-3-15(21)18(19)22)16-11-30-20(25-16)26-6-8-28-9-7-26;/h2-3,11,13,17,23H,4-10H2,1H3,(H,24,27);1H.
What are the key properties of N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride?
N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 474.96 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 172547175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).