N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide

C15H15N3O2S — CID 135121892

IUPACN-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc(C)c3c(c2)CNC3=O)s1
InChIInChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyFZVDJVCULQLKOA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.63
Rot. Bonds2

About N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 135121892) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID135121892
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cc(C)c3c(c2)CNC3=O)s1
InChIInChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyFZVDJVCULQLKOA-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-N-(5-(2-(1-cyclopropylethyl)-7-(methylsulfonyl)-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CID 134611894
(S)-N-(5-(2-(1-Cyclopropylethyl)-7-methyl-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CID 134163708
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 130421765
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 130422161
(S)-N-(5-(2-(1-Cyclopropylethyl)-1-oxo-7-sulfamoylisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CID 130422162
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(2-methoxyethylsulfamoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 141716982
(S)-N-(5-(7-chloro-2-(1-cyclopropylethyl)-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CID 141717009
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 959085
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 2233097
3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 4415864

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 135121892) is N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cc(C)c3c(c2)CNC3=O)s1.
What is the InChIKey of N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FZVDJVCULQLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-7-4-10(5-11-6-16-14(20)12(7)11)13-8(2)17-15(21-13)18-9(3)19/h4-5H,6H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(7-methyl-1-oxo-2,3-dihydroisoindol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135121892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).