N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C17H15N3O4S — CID 1180197

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)nc1C
InChIInChI=1S/C17H15N3O4S/c1-9-14(10(2)21)25-17(18-9)19-13(22)7-8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyVVJJDNUTINWSOT-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.28
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1180197) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1180197
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)nc1C
InChIInChI=1S/C17H15N3O4S/c1-9-14(10(2)21)25-17(18-9)19-13(22)7-8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyVVJJDNUTINWSOT-UHFFFAOYSA-N
XLogP2.28
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(S)-N-(5-(2-(1-Cyclopropylethyl)-7-methyl-1-oxoisoindolin-5-yl)-4-methylthiazol-2-yl)acetamide
CID 134163708
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
CID 733782
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
N-(7-Oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-benzamide
CID 877583
N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2789377
N-(5-Acetyl-4-methyl-thiazol-2-yl)-4-methyl-benzamide
CID 733899
3-{2-[4-(4,5-Dimethyl-thiazol-2-yl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9820085
N-Benzyl-4-methyl-2-(2-oxopyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985271
4-Methyl-2-phenylacetylaminothiazole-5-carboxylic Acid Benzylamide
CID 59369702
ethyl (2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1147803

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1180197) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is CC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is VVJJDNUTINWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-9-14(10(2)21)25-17(18-9)19-13(22)7-8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6H,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 357.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1180197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).