4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide

C26H28N4O4S — CID 91754890

IUPAC4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCN4CCNC4=O)s3)ccc2O1
InChIInChI=1S/C26H28N4O4S/c1-16-5-3-4-6-20(16)22-9-7-18-15-19(8-10-21(18)34-22)33-26-29-17(2)23(35-26)24(31)27-11-13-30-14-12-28-25(30)32/h3-6,8,10,15,22H,7,9,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBKQJHBHUBOKELE-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.37
Rot. Bonds7

About 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 91754890) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID91754890
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCN4CCNC4=O)s3)ccc2O1
InChIInChI=1S/C26H28N4O4S/c1-16-5-3-4-6-20(16)22-9-7-18-15-19(8-10-21(18)34-22)33-26-29-17(2)23(35-26)24(31)27-11-13-30-14-12-28-25(30)32/h3-6,8,10,15,22H,7,9,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBKQJHBHUBOKELE-UHFFFAOYSA-N
XLogP4.37
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 91754890) is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)NCCN4CCNC4=O)s3)ccc2O1.
What is the InChIKey of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BKQJHBHUBOKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-16-5-3-4-6-20(16)22-9-7-18-15-19(8-10-21(18)34-22)33-26-29-17(2)23(35-26)24(31)27-11-13-30-14-12-28-25(30)32/h3-6,8,10,15,22H,7,9,11-14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).