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

C14H13N3O3S — CID 2998455

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC1=NCCS1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H13N3O3S/c1-8(11(18)16-14-15-6-7-21-14)17-12(19)9-4-2-3-5-10(9)13(17)20/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyVOBQBRVBJOZKGZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.89
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2998455) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2998455
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NC1=NCCS1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H13N3O3S/c1-8(11(18)16-14-15-6-7-21-14)17-12(19)9-4-2-3-5-10(9)13(17)20/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyVOBQBRVBJOZKGZ-UHFFFAOYSA-N
XLogP0.89
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
(3R)-N-(2-methylpropyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17577040
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2962300
2-(1,3-Dioxoisoindol-2-yl)ethyl carbamimidothioate;hydrochloride
CID 17384458
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2079722
N-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2232829
4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2936726
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2997722
(3R)-5-oxo-N-(propan-2-yl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576455
(3R)-N-cyclopropyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576492

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 2998455) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NC1=NCCS1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is VOBQBRVBJOZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-8(11(18)16-14-15-6-7-21-14)17-12(19)9-4-2-3-5-10(9)13(17)20/h2-5,8H,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 303.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2998455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).