4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C20H15N3O3S — CID 17361609

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C20H15N3O3S/c1-12-11-27-20(21-12)22-17(24)14-8-6-13(7-9-14)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyYOQRPMGLKIRXIT-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.50
Rot. Bonds4

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 17361609) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID17361609
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C20H15N3O3S/c1-12-11-27-20(21-12)22-17(24)14-8-6-13(7-9-14)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-9,11H,10H2,1H3,(H,21,22,24)
InChIKeyYOQRPMGLKIRXIT-UHFFFAOYSA-N
XLogP3.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.50
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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452
3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 4794693
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9095875
(2-acetamido-1,3-thiazol-4-yl)methyl 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188985
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 47739579
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60519196
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 17361609) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YOQRPMGLKIRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-11-27-20(21-12)22-17(24)14-8-6-13(7-9-14)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-9,11H,10H2,1H3,(H,21,22,24).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 377.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).