N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide

C20H18FN3O3S — CID 7987486

IUPACN-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-12-6-8-13(9-7-12)22-18(26)11-19-24-20(27)16(28-19)10-17(25)23-15-5-3-2-4-14(15)21/h2-9,16H,10-11H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyFVJHAAUQVZVYSH-INIZCTEOSA-N
MW399.45 g/mol
LogP3.53
Rot. Bonds6

About N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 7987486) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID7987486
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-12-6-8-13(9-7-12)22-18(26)11-19-24-20(27)16(28-19)10-17(25)23-15-5-3-2-4-14(15)21/h2-9,16H,10-11H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyFVJHAAUQVZVYSH-INIZCTEOSA-N
XLogP3.53
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725459
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
2-[(5S)-2-[(3S)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 92655361
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
N-(2-fluorophenyl)-2-[2-[3-(3-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22547956
N-(2-fluorophenyl)-2-[(5R)-2-[(3S)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984629
N-(2-fluorophenyl)-2-[(5S)-2-[(3R)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984467
N-(2-fluorophenyl)-2-[(5R)-2-[(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984630
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 17424688
2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 2134578

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 7987486) is N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide is Cc1ccc(NC(=O)CC2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is FVJHAAUQVZVYSH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-12-6-8-13(9-7-12)22-18(26)11-19-24-20(27)16(28-19)10-17(25)23-15-5-3-2-4-14(15)21/h2-9,16H,10-11H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 7987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).