3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide

C16H16N4O4S — CID 43978959

About 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide

3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide (PubChem CID 43978959) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide
• PubChem CID: 43978959
• Molecular Formula: C16H16N4O4S
• Molecular Weight: 360.40 g/mol
• Exact Mass: 360.09
• IUPAC Name: 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide
• SMILES: COc1nn(C)cc1C(=O)/N=c1\sc2cc3c(cc2n1C)OCCO3
• InChI: InChI=1S/C16H16N4O4S/c1-19-8-9(15(18-19)22-3)14(21)17-16-20(2)10-6-11-12(7-13(10)25-16)24-5-4-23-11/h6-8H,4-5H2,1-3H3/b17-16-
• InChIKey: MOGGTVHLHWQSGA-MSUUIHNZSA-N
• XLogP: 1.49
• TPSA: 79.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.40
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide?

The IUPAC name of 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide (CID 43978959) is 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide.

What is the SMILES notation for 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide?

The canonical SMILES for 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)/N=c1\sc2cc3c(cc2n1C)OCCO3.

What is the InChIKey of 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide?

The InChIKey is MOGGTVHLHWQSGA-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-19-8-9(15(18-19)22-3)14(21)17-16-20(2)10-6-11-12(7-13(10)25-16)24-5-4-23-11/h6-8H,4-5H2,1-3H3/b17-16-.

What are the key properties of 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide?

3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazole-4-carboxamide is sourced from PubChem (CID 43978959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).