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

C22H22N2O3S — CID 71292871

IUPAC2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C22H22N2O3S/c1-2-12-23-21(25)20-14-24-22(28-20)26-17-9-11-19-16(13-17)8-10-18(27-19)15-6-4-3-5-7-15/h3-7,9,11,13-14,18H,2,8,10,12H2,1H3,(H,23,25)
InChIKeyMZLAALXYKJSUIA-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.14
Rot. Bonds6

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

2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 71292871) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID71292871
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C22H22N2O3S/c1-2-12-23-21(25)20-14-24-22(28-20)26-17-9-11-19-16(13-17)8-10-18(27-19)15-6-4-3-5-7-15/h3-7,9,11,13-14,18H,2,8,10,12H2,1H3,(H,23,25)
InChIKeyMZLAALXYKJSUIA-UHFFFAOYSA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide (CID 71292871) is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is MZLAALXYKJSUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-2-12-23-21(25)20-14-24-22(28-20)26-17-9-11-19-16(13-17)8-10-18(27-19)15-6-4-3-5-7-15/h3-7,9,11,13-14,18H,2,8,10,12H2,1H3,(H,23,25).
What are the key properties of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide?
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71292871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).