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

C26H23N3O3S — CID 91754815

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

4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 91754815) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 91754815
• Molecular Formula: C26H23N3O3S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.15
• IUPAC Name: 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C(=O)NCc1ccncc1
• InChI: InChI=1S/C26H23N3O3S/c1-17-24(25(30)28-16-18-11-13-27-14-12-18)33-26(29-17)31-21-8-10-23-20(15-21)7-9-22(32-23)19-5-3-2-4-6-19/h2-6,8,10-15,22H,7,9,16H2,1H3,(H,28,30)/t22-/m0/s1
• InChIKey: DHIAUMSMHOUWGL-QFIPXVFZSA-N
• XLogP: 5.64
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 91754815) is 4-methyl-2-[[(2S)-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 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C(=O)NCc1ccncc1.

What is the InChIKey of 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is DHIAUMSMHOUWGL-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-17-24(25(30)28-16-18-11-13-27-14-12-18)33-26(29-17)31-21-8-10-23-20(15-21)7-9-22(32-23)19-5-3-2-4-6-19/h2-6,8,10-15,22H,7,9,16H2,1H3,(H,28,30)/t22-/m0/s1.

What are the key properties of 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?

4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).