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

C23H24N2O3S — CID 71293025

IUPAC2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)s1
InChIInChI=1S/C23H24N2O3S/c1-3-12-24-22(26)21-14-25-23(29-21)27-17-9-11-19-16(13-17)8-10-20(28-19)18-7-5-4-6-15(18)2/h4-7,9,11,13-14,20H,3,8,10,12H2,1-2H3,(H,24,26)
InChIKeySOGGDGZGNUBLCC-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.45
Rot. Bonds6

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

2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 71293025) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID71293025
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)s1
InChIInChI=1S/C23H24N2O3S/c1-3-12-24-22(26)21-14-25-23(29-21)27-17-9-11-19-16(13-17)8-10-20(28-19)18-7-5-4-6-15(18)2/h4-7,9,11,13-14,20H,3,8,10,12H2,1-2H3,(H,24,26)
InChIKeySOGGDGZGNUBLCC-UHFFFAOYSA-N
XLogP5.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide (CID 71293025) is 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 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)s1.
What is the InChIKey of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is SOGGDGZGNUBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-12-24-22(26)21-14-25-23(29-21)27-17-9-11-19-16(13-17)8-10-20(28-19)18-7-5-4-6-15(18)2/h4-7,9,11,13-14,20H,3,8,10,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide?
2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71293025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).