N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

C24H26FN3O3S — CID 54752787

IUPACN-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O3S/c25-20-5-1-18(2-6-20)16-26-23(29)15-21-17-32-24(27-21)19-3-7-22(8-4-19)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29)
InChIKeyQWGZPKRIMIDWOK-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.52
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 54752787) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID54752787
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O3S/c25-20-5-1-18(2-6-20)16-26-23(29)15-21-17-32-24(27-21)19-3-7-22(8-4-19)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29)
InChIKeyQWGZPKRIMIDWOK-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
(S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217513
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
2-Phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
CID 14146330
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-[1-(2-fluoro-4-methoxybenzyl)-3-oxo-2-piperazinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24819447

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (CID 54752787) is N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QWGZPKRIMIDWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c25-20-5-1-18(2-6-20)16-26-23(29)15-21-17-32-24(27-21)19-3-7-22(8-4-19)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 455.56 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 54752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).