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

C25H21N3O3S — CID 91754741

IUPAC2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C25H21N3O3S/c29-24(27-15-17-10-12-26-13-11-17)23-16-28-25(32-23)30-20-7-9-22-19(14-20)6-8-21(31-22)18-4-2-1-3-5-18/h1-5,7,9-14,16,21H,6,8,15H2,(H,27,29)
InChIKeyGLWZKXOGFVSLBK-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.33
Rot. Bonds6

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

2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 91754741) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID91754741
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C25H21N3O3S/c29-24(27-15-17-10-12-26-13-11-17)23-16-28-25(32-23)30-20-7-9-22-19(14-20)6-8-21(31-22)18-4-2-1-3-5-18/h1-5,7,9-14,16,21H,6,8,15H2,(H,27,29)
InChIKeyGLWZKXOGFVSLBK-UHFFFAOYSA-N
XLogP5.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 91754741) is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GLWZKXOGFVSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c29-24(27-15-17-10-12-26-13-11-17)23-16-28-25(32-23)30-20-7-9-22-19(14-20)6-8-21(31-22)18-4-2-1-3-5-18/h1-5,7,9-14,16,21H,6,8,15H2,(H,27,29).
What are the key properties of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).