N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide

C22H21FN4O3S — CID 37281510

IUPACN-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2nccs2)CC1)Nc1ccccc1F
InChIInChI=1S/C22H21FN4O3S/c23-17-6-2-3-7-18(17)25-20(28)15-30-19-8-4-1-5-16(19)21(29)26-10-12-27(13-11-26)22-24-9-14-31-22/h1-9,14H,10-13,15H2,(H,25,28)
InChIKeyZEYJZWZLJZZDMD-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.26
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide

N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 37281510) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID37281510
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2nccs2)CC1)Nc1ccccc1F
InChIInChI=1S/C22H21FN4O3S/c23-17-6-2-3-7-18(17)25-20(28)15-30-19-8-4-1-5-16(19)21(29)26-10-12-27(13-11-26)22-24-9-14-31-22/h1-9,14H,10-13,15H2,(H,25,28)
InChIKeyZEYJZWZLJZZDMD-UHFFFAOYSA-N
XLogP3.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55780429
N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 38711386
N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
CID 119579274
2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 120816990
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 39507528
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
3-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37451220
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
CID 96534639
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide (CID 37281510) is N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide is O=C(COc1ccccc1C(=O)N1CCN(c2nccs2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is ZEYJZWZLJZZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c23-17-6-2-3-7-18(17)25-20(28)15-30-19-8-4-1-5-16(19)21(29)26-10-12-27(13-11-26)22-24-9-14-31-22/h1-9,14H,10-13,15H2,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide?
N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 440.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 37281510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).