N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H10F2N2O3S — CID 2159195

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 2159195) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
• PubChem CID: 2159195
• Molecular Formula: C13H10F2N2O3S
• Molecular Weight: 312.30 g/mol
• Exact Mass: 312.04
• IUPAC Name: N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
• SMILES: Cn1/c(=N/C(=O)C2=COCCO2)sc2cc(F)cc(F)c21
• InChI: InChI=1S/C13H10F2N2O3S/c1-17-11-8(15)4-7(14)5-10(11)21-13(17)16-12(18)9-6-19-2-3-20-9/h4-6H,2-3H2,1H3/b16-13-
• InChIKey: RZNRSEPEWBBZGN-SSZFMOIBSA-N
• XLogP: 1.83
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.30
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?

The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 2159195) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.

What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?

The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cn1/c(=N/C(=O)C2=COCCO2)sc2cc(F)cc(F)c21.

What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?

The InChIKey is RZNRSEPEWBBZGN-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c1-17-11-8(15)4-7(14)5-10(11)21-13(17)16-12(18)9-6-19-2-3-20-9/h4-6H,2-3H2,1H3/b16-13-.

What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 2159195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).