propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C26H24N2O5S — CID 108787096

IUPACpropan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(C)c(C(=O)OC(C)C)s4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H24N2O5S/c1-13(2)32-25(31)23-16(5)27-26(34-23)28-24(30)18-8-6-17(7-9-18)21-12-20(29)19-11-14(3)10-15(4)22(19)33-21/h6-13H,1-5H3,(H,27,28,30)
InChIKeyJLAJOAXPKPVLNO-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.66
Rot. Bonds5

About propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 108787096) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID108787096
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Namepropan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(C)c(C(=O)OC(C)C)s4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H24N2O5S/c1-13(2)32-25(31)23-16(5)27-26(34-23)28-24(30)18-8-6-17(7-9-18)21-12-20(29)19-11-14(3)10-15(4)22(19)33-21/h6-13H,1-5H3,(H,27,28,30)
InChIKeyJLAJOAXPKPVLNO-UHFFFAOYSA-N
XLogP5.66
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796730

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 108787096) is propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4nc(C)c(C(=O)OC(C)C)s4)cc3)cc(=O)c2c1.
What is the InChIKey of propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JLAJOAXPKPVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-13(2)32-25(31)23-16(5)27-26(34-23)28-24(30)18-8-6-17(7-9-18)21-12-20(29)19-11-14(3)10-15(4)22(19)33-21/h6-13H,1-5H3,(H,27,28,30).
What are the key properties of propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 476.55 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108787096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).