4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C26H28N4O3S — CID 24992490

About 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 24992490) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• PubChem CID: 24992490
• Molecular Formula: C26H28N4O3S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.19
• IUPAC Name: 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
• SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2cccc3c2OCCN3C)c1
• InChI: InChI=1S/C26H28N4O3S/c1-16-6-4-7-18(14-16)24-22(28-17(2)34-24)26(32)30-11-10-19(30)15-27-25(31)20-8-5-9-21-23(20)33-13-12-29(21)3/h4-9,14,19H,10-13,15H2,1-3H3,(H,27,31)
• InChIKey: CMCZEHNAHKHERX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The IUPAC name of 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 24992490) is 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

What is the SMILES notation for 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The canonical SMILES for 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2cccc3c2OCCN3C)c1.

What is the InChIKey of 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

The InChIKey is CMCZEHNAHKHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-16-6-4-7-18(14-16)24-22(28-17(2)34-24)26(32)30-11-10-19(30)15-27-25(31)20-8-5-9-21-23(20)33-13-12-29(21)3/h4-9,14,19H,10-13,15H2,1-3H3,(H,27,31).

What are the key properties of 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide?

4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 24992490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).