N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

C22H27FN4O4S — CID 124984231

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESC[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C22H27FN4O4S/c1-22(20(29)27-7-9-30-10-8-27)15-26(6-11-31-22)14-19(28)25-21-24-13-18(32-21)12-16-2-4-17(23)5-3-16/h2-5,13H,6-12,14-15H2,1H3,(H,24,25,28)/t22-/m1/s1
InChIKeyNJIYAEQLHXPOCF-JOCHJYFZSA-N
MW462.55 g/mol
LogP1.76
Rot. Bonds6

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (PubChem CID 124984231) has the molecular formula C22H27FN4O4S and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
PubChem CID124984231
Molecular FormulaC22H27FN4O4S
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
SMILESC[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C22H27FN4O4S/c1-22(20(29)27-7-9-30-10-8-27)15-26(6-11-31-22)14-19(28)25-21-24-13-18(32-21)12-16-2-4-17(23)5-3-16/h2-5,13H,6-12,14-15H2,1H3,(H,24,25,28)/t22-/m1/s1
InChIKeyNJIYAEQLHXPOCF-JOCHJYFZSA-N
XLogP1.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 110167471
(3S,4S)-1-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120650
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(morpholin-4-ylmethyl)benzamide
CID 46971835
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124942272
N-(4-acetamido-2-chlorophenyl)-2-[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 110122379
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034915
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 162395574
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456781
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide (CID 124984231) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is C[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCO1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
The InChIKey is NJIYAEQLHXPOCF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27FN4O4S/c1-22(20(29)27-7-9-30-10-8-27)15-26(6-11-31-22)14-19(28)25-21-24-13-18(32-21)12-16-2-4-17(23)5-3-16/h2-5,13H,6-12,14-15H2,1H3,(H,24,25,28)/t22-/m1/s1.
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 124984231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).