5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H14ClFN2O4S — CID 55722986

About 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55722986) has the molecular formula C19H14ClFN2O4S and a molecular weight of 420.85 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• PubChem CID: 55722986
• Molecular Formula: C19H14ClFN2O4S
• Molecular Weight: 420.85 g/mol
• Exact Mass: 420.03
• IUPAC Name: 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)n1
• InChI: InChI=1S/C19H14ClFN2O4S/c1-25-15-3-2-11(21)8-12(15)14-9-28-19(22-14)23-18(24)10-6-13(20)17-16(7-10)26-4-5-27-17/h2-3,6-9H,4-5H2,1H3,(H,22,23,24)
• InChIKey: VJPKNIGEJUNBRZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.85
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55722986) is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)n1.

What is the InChIKey of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

The InChIKey is VJPKNIGEJUNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4S/c1-25-15-3-2-11(21)8-12(15)14-9-28-19(22-14)23-18(24)10-6-13(20)17-16(7-10)26-4-5-27-17/h2-3,6-9H,4-5H2,1H3,(H,22,23,24).

What are the key properties of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?

5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 420.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55722986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).