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

C18H13N3O3S2 — CID 51149975

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O3S2/c1-10(21-16(23)11-5-2-3-6-12(11)17(21)24)15(22)20-18-19-13(9-26-18)14-7-4-8-25-14/h2-10H,1H3,(H,19,20,22)
InChIKeyFNZVVSKMVASSMT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.49
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 51149975) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID51149975
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O3S2/c1-10(21-16(23)11-5-2-3-6-12(11)17(21)24)15(22)20-18-19-13(9-26-18)14-7-4-8-25-14/h2-10H,1H3,(H,19,20,22)
InChIKeyFNZVVSKMVASSMT-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.49
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

2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46797593
ethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51146422
ethyl 2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 3659980
ethyl 2-[2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180864
2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742139
2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108763094
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19197271
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286196

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 51149975) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nc(-c2cccs2)cs1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is FNZVVSKMVASSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c1-10(21-16(23)11-5-2-3-6-12(11)17(21)24)15(22)20-18-19-13(9-26-18)14-7-4-8-25-14/h2-10H,1H3,(H,19,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 51149975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).