4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H15N5O4S2 — CID 5146115

IUPAC4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1c(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C18H15N5O4S2/c1-11-14(9-19)16(24)23(2)17(25)15(11)10-21-12-3-5-13(6-4-12)29(26,27)22-18-20-7-8-28-18/h3-8,10,25H,1-2H3,(H,20,22)/b21-10+
InChIKeyUGQJLBRUBGTTBC-UFFVCSGVSA-N
MW429.48 g/mol
LogP2.28
Rot. Bonds5

About 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5146115) has the molecular formula C18H15N5O4S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5146115
Molecular FormulaC18H15N5O4S2
Molecular Weight429.48 g/mol
Exact Mass429.06
IUPAC Name4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1c(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C18H15N5O4S2/c1-11-14(9-19)16(24)23(2)17(25)15(11)10-21-12-3-5-13(6-4-12)29(26,27)22-18-20-7-8-28-18/h3-8,10,25H,1-2H3,(H,20,22)/b21-10+
InChIKeyUGQJLBRUBGTTBC-UFFVCSGVSA-N
XLogP2.28
TPSA137.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 5146115) is 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1c(/C=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is UGQJLBRUBGTTBC-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H15N5O4S2/c1-11-14(9-19)16(24)23(2)17(25)15(11)10-21-12-3-5-13(6-4-12)29(26,27)22-18-20-7-8-28-18/h3-8,10,25H,1-2H3,(H,20,22)/b21-10+.
What are the key properties of 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 429.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5146115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).