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

C18H13N3O3S — CID 2095524

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H13N3O3S/c22-15(20-18-19-8-9-25-18)11-4-3-5-12(10-11)21-16(23)13-6-1-2-7-14(13)17(21)24/h1-7,10H,8-9H2,(H,19,20,22)
InChIKeyVCBXDDWTBDJIQH-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.32
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 2095524) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID2095524
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H13N3O3S/c22-15(20-18-19-8-9-25-18)11-4-3-5-12(10-11)21-16(23)13-6-1-2-7-14(13)17(21)24/h1-7,10H,8-9H2,(H,19,20,22)
InChIKeyVCBXDDWTBDJIQH-UHFFFAOYSA-N
XLogP2.32
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4844788
2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)acetamide
CID 974864
2-[2-[3-[3-(Dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 2085330
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2532351
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
N,N-diethyl-2-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl)sulfanyl]acetamide
CID 3782612
6-amino-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-5-phenyl-4(3H)-pyrimidinone
CID 135414687
(5Z)-2-(2,3-dimethylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
CID 135426170
N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 4791285
Benzamide, N-(3-(2,3,5,6-tetrahydroimidazo(2,1-b)thiazol-6-yl)phenyl)-, (+-)-
CID 217898
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
CID 1417818
4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16323393

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide (CID 2095524) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is VCBXDDWTBDJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-15(20-18-19-8-9-25-18)11-4-3-5-12(10-11)21-16(23)13-6-1-2-7-14(13)17(21)24/h1-7,10H,8-9H2,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 351.39 g/mol, XLogP of 2.32, 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)-3-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 2095524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).