5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide

C16H15Cl2N5O3S2 — CID 130394849

About 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide

5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 130394849) has the molecular formula C16H15Cl2N5O3S2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide
• PubChem CID: 130394849
• Molecular Formula: C16H15Cl2N5O3S2
• Molecular Weight: 460.37 g/mol
• Exact Mass: 459.00
• IUPAC Name: 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide
• SMILES: CN1C(N)=NC2(c3sc(C(=O)Nc4cccc(Cl)n4)cc3Cl)CCOC2S1=O
• InChI: InChI=1S/C16H15Cl2N5O3S2/c1-23-15(19)22-16(5-6-26-14(16)28(23)25)12-8(17)7-9(27-12)13(24)21-11-4-2-3-10(18)20-11/h2-4,7,14H,5-6H2,1H3,(H2,19,22)(H,20,21,24)
• InChIKey: HVDDYXSQTDTBGX-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 109.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.37
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide?

The IUPAC name of 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide (CID 130394849) is 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide?

The canonical SMILES for 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide is CN1C(N)=NC2(c3sc(C(=O)Nc4cccc(Cl)n4)cc3Cl)CCOC2S1=O.

What is the InChIKey of 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide?

The InChIKey is HVDDYXSQTDTBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O3S2/c1-23-15(19)22-16(5-6-26-14(16)28(23)25)12-8(17)7-9(27-12)13(24)21-11-4-2-3-10(18)20-11/h2-4,7,14H,5-6H2,1H3,(H2,19,22)(H,20,21,24).

What are the key properties of 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide?

5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 460.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-chloro-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 130394849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).