2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

C25H21N5O4S — CID 3311346

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)C(Cc3cnc[nH]3)N3C(=O)c4ccccc4C3=O)sc2C)cc1
InChIInChI=1S/C25H21N5O4S/c1-14-21(15-7-9-17(34-2)10-8-15)28-25(35-14)29-22(31)20(11-16-12-26-13-27-16)30-23(32)18-5-3-4-6-19(18)24(30)33/h3-10,12-13,20H,11H2,1-2H3,(H,26,27)(H,28,29,31)
InChIKeyGOGSQTBZNCLRKA-UHFFFAOYSA-N
MW487.54 g/mol
LogP3.70
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 3311346) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID3311346
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)C(Cc3cnc[nH]3)N3C(=O)c4ccccc4C3=O)sc2C)cc1
InChIInChI=1S/C25H21N5O4S/c1-14-21(15-7-9-17(34-2)10-8-15)28-25(35-14)29-22(31)20(11-16-12-26-13-27-16)30-23(32)18-5-3-4-6-19(18)24(30)33/h3-10,12-13,20H,11H2,1-2H3,(H,26,27)(H,28,29,31)
InChIKeyGOGSQTBZNCLRKA-UHFFFAOYSA-N
XLogP3.70
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 3311346) is 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2nc(NC(=O)C(Cc3cnc[nH]3)N3C(=O)c4ccccc4C3=O)sc2C)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is GOGSQTBZNCLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c1-14-21(15-7-9-17(34-2)10-8-15)28-25(35-14)29-22(31)20(11-16-12-26-13-27-16)30-23(32)18-5-3-4-6-19(18)24(30)33/h3-10,12-13,20H,11H2,1-2H3,(H,26,27)(H,28,29,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 487.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 3311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).