3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide

C26H25N3O3S — CID 30134890

About 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide

3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide (PubChem CID 30134890) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide
• PubChem CID: 30134890
• Molecular Formula: C26H25N3O3S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.16
• IUPAC Name: 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide
• SMILES: Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(CN4CCCCC4)cs3)cccc2c1=O
• InChI: InChI=1S/C26H25N3O3S/c1-17-22(30)20-11-8-12-21(24(20)32-23(17)18-9-4-2-5-10-18)25(31)28-26-27-19(16-33-26)15-29-13-6-3-7-14-29/h2,4-5,8-12,16H,3,6-7,13-15H2,1H3,(H,27,28,31)
• InChIKey: MDOVIAAKYVZLHJ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide?

The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide (CID 30134890) is 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide.

What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide?

The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(CN4CCCCC4)cs3)cccc2c1=O.

What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide?

The InChIKey is MDOVIAAKYVZLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17-22(30)20-11-8-12-21(24(20)32-23(17)18-9-4-2-5-10-18)25(31)28-26-27-19(16-33-26)15-29-13-6-3-7-14-29/h2,4-5,8-12,16H,3,6-7,13-15H2,1H3,(H,27,28,31).

What are the key properties of 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide?

3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide is sourced from PubChem (CID 30134890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).