3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C22H19N3O5S — CID 4794693

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)cc(CN2C(=O)c3ccccc3C2=O)c1OC
InChIInChI=1S/C22H19N3O5S/c1-12-11-31-22(23-12)24-19(26)13-8-14(18(30-3)17(9-13)29-2)10-25-20(27)15-6-4-5-7-16(15)21(25)28/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyHTVBMCMBESTSQZ-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.52
Rot. Bonds6

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4794693) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID4794693
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)cc(CN2C(=O)c3ccccc3C2=O)c1OC
InChIInChI=1S/C22H19N3O5S/c1-12-11-31-22(23-12)24-19(26)13-8-14(18(30-3)17(9-13)29-2)10-25-20(27)15-6-4-5-7-16(15)21(25)28/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyHTVBMCMBESTSQZ-UHFFFAOYSA-N
XLogP3.52
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 4792750
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 121084015
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24509638
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9095875
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 17361614
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 4794693) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc(C)cs2)cc(CN2C(=O)c3ccccc3C2=O)c1OC.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HTVBMCMBESTSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-12-11-31-22(23-12)24-19(26)13-8-14(18(30-3)17(9-13)29-2)10-25-20(27)15-6-4-5-7-16(15)21(25)28/h4-9,11H,10H2,1-3H3,(H,23,24,26).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4794693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).