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

C24H26N2O3S — CID 71292765

IUPAC4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)nc1C
InChIInChI=1S/C24H26N2O3S/c1-4-13-25-23(27)22-16(3)26-24(30-22)28-18-10-12-20-17(14-18)9-11-21(29-20)19-8-6-5-7-15(19)2/h5-8,10,12,14,21H,4,9,11,13H2,1-3H3,(H,25,27)
InChIKeyOAAABMZYTZSDAL-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.76
Rot. Bonds6

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

4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 71292765) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID71292765
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)nc1C
InChIInChI=1S/C24H26N2O3S/c1-4-13-25-23(27)22-16(3)26-24(30-22)28-18-10-12-20-17(14-18)9-11-21(29-20)19-8-6-5-7-15(19)2/h5-8,10,12,14,21H,4,9,11,13H2,1-3H3,(H,25,27)
InChIKeyOAAABMZYTZSDAL-UHFFFAOYSA-N
XLogP5.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide (CID 71292765) is 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-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-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)nc1C.
What is the InChIKey of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is OAAABMZYTZSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-4-13-25-23(27)22-16(3)26-24(30-22)28-18-10-12-20-17(14-18)9-11-21(29-20)19-8-6-5-7-15(19)2/h5-8,10,12,14,21H,4,9,11,13H2,1-3H3,(H,25,27).
What are the key properties of 4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71292765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).