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

C23H24N2O3S — CID 71292967

IUPACN-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C23H24N2O3S/c1-15(2)13-24-22(26)21-14-25-23(29-21)27-18-9-11-20-17(12-18)8-10-19(28-20)16-6-4-3-5-7-16/h3-7,9,11-12,14-15,19H,8,10,13H2,1-2H3,(H,24,26)
InChIKeyGSCVGOWYANABRL-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.39
Rot. Bonds6

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

N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 71292967) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID71292967
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C23H24N2O3S/c1-15(2)13-24-22(26)21-14-25-23(29-21)27-18-9-11-20-17(12-18)8-10-19(28-20)16-6-4-3-5-7-16/h3-7,9,11-12,14-15,19H,8,10,13H2,1-2H3,(H,24,26)
InChIKeyGSCVGOWYANABRL-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 71292967) is N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is CC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is GSCVGOWYANABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15(2)13-24-22(26)21-14-25-23(29-21)27-18-9-11-20-17(12-18)8-10-19(28-20)16-6-4-3-5-7-16/h3-7,9,11-12,14-15,19H,8,10,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71292967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).