2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

C28H20N4O3S — CID 26175525

IUPAC2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3C2=O)c1
InChIInChI=1S/C28H20N4O3S/c1-16-3-4-17(2)24(13-16)32-26(34)21-10-7-19(14-22(21)27(32)35)25(33)29-20-8-5-18(6-9-20)23-15-31-11-12-36-28(31)30-23/h3-15H,1-2H3,(H,29,33)
InChIKeyCCTNUGYOOVCKMN-UHFFFAOYSA-N
MW492.56 g/mol
LogP5.73
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26175525) has the molecular formula C28H20N4O3S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID26175525
Molecular FormulaC28H20N4O3S
Molecular Weight492.56 g/mol
Exact Mass492.13
IUPAC Name2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3C2=O)c1
InChIInChI=1S/C28H20N4O3S/c1-16-3-4-17(2)24(13-16)32-26(34)21-10-7-19(14-22(21)27(32)35)25(33)29-20-8-5-18(6-9-20)23-15-31-11-12-36-28(31)30-23/h3-15H,1-2H3,(H,29,33)
InChIKeyCCTNUGYOOVCKMN-UHFFFAOYSA-N
XLogP5.73
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.56
LogP ≤ 55.73
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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(pyridin-4-ylmethyl)phenyl]isoindole-5-carboxamide
CID 112800408
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]isoindole-5-carboxamide
CID 16550154
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40706621
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29441698
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
N-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26360335

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 26175525) is 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is CCTNUGYOOVCKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O3S/c1-16-3-4-17(2)24(13-16)32-26(34)21-10-7-19(14-22(21)27(32)35)25(33)29-20-8-5-18(6-9-20)23-15-31-11-12-36-28(31)30-23/h3-15H,1-2H3,(H,29,33).
What are the key properties of 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26175525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).