2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole

C10H9N3O5S2 — CID 135303963

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2nc(C)cs2)n1
InChIInChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3
InChIKeyYKQIRIVONMSKNR-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.60
Rot. Bonds4

About 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole

2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole (PubChem CID 135303963) has the molecular formula C10H9N3O5S2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole
PubChem CID135303963
Molecular FormulaC10H9N3O5S2
Molecular Weight315.33 g/mol
Exact Mass315.00
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)c2nc(C)cs2)n1
InChIInChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3
InChIKeyYKQIRIVONMSKNR-UHFFFAOYSA-N
XLogP1.60
TPSA112.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole (CID 135303963) is 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole is COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2nc(C)cs2)n1.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole?
The InChIKey is YKQIRIVONMSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3.
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole?
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole has a molecular weight of 315.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 135303963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).