N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C22H18ClN3O2S — CID 33293901

IUPACN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1
InChIInChI=1S/C22H18ClN3O2S/c1-13-6-5-7-15(20(13)23)10-16-11-24-22(29-16)25-19(27)12-26-14(2)17-8-3-4-9-18(17)21(26)28/h3-9,11H,2,10,12H2,1H3,(H,24,25,27)
InChIKeyZDRCEAYPEWZNPL-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.76
Rot. Bonds5

About N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 33293901) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID33293901
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1
InChIInChI=1S/C22H18ClN3O2S/c1-13-6-5-7-15(20(13)23)10-16-11-24-22(29-16)25-19(27)12-26-14(2)17-8-3-4-9-18(17)21(26)28/h3-9,11H,2,10,12H2,1H3,(H,24,25,27)
InChIKeyZDRCEAYPEWZNPL-UHFFFAOYSA-N
XLogP4.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351555
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
(S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)propylamino)thiazol-5-yl)isoindolin-1-one
CID 46880505
N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 141717016
US10913733, Example 21
CID 129251500
2-[5-(4-Chloro-benzyl)-thiazol-2-yl]-isoindole-1,3-dione
CID 987674
N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
CID 1871747
(2r)-2-(1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-2-Phenyl-N-(1,3-Thiazol-2-Yl)acetamide
CID 51607467
2-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-1H-isoindole-1,3(2H)-dione
CID 987711
4-tert-butyl-N-[1-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42918792
5-fluoro-N-[(4-fluorophenyl)methyl]-2-[[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-5-yl]methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 177377535
2-[5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl]-1H-isoindole-1,3(2H)-dione
CID 1362402

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 33293901) is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1.
What is the InChIKey of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is ZDRCEAYPEWZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-13-6-5-7-15(20(13)23)10-16-11-24-22(29-16)25-19(27)12-26-14(2)17-8-3-4-9-18(17)21(26)28/h3-9,11H,2,10,12H2,1H3,(H,24,25,27).
What are the key properties of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 423.93 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 33293901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).