2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide

C20H16ClN3O4S — CID 1468246

About 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468246) has the molecular formula C20H16ClN3O4S and a molecular weight of 429.89 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 1468246
• Molecular Formula: C20H16ClN3O4S
• Molecular Weight: 429.89 g/mol
• Exact Mass: 429.06
• IUPAC Name: 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C20H16ClN3O4S/c1-11-17(19(26)23-14-6-7-15-16(10-14)28-9-8-27-15)29-20(22-11)24-18(25)12-2-4-13(21)5-3-12/h2-7,10H,8-9H2,1H3,(H,23,26)(H,22,24,25)
• InChIKey: JARINMSTHABULC-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.89
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 1468246) is 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is JARINMSTHABULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4S/c1-11-17(19(26)23-14-6-7-15-16(10-14)28-9-8-27-15)29-20(22-11)24-18(25)12-2-4-13(21)5-3-12/h2-7,10H,8-9H2,1H3,(H,23,26)(H,22,24,25).

What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide?

2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 429.89 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).