4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide

C16H14N4O3S2 — CID 155541687

IUPAC4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(S(=O)(=O)NC)cc3)c2)S1
InChIInChI=1S/C16H14N4O3S2/c1-18-25(22,23)13-4-2-11(3-5-13)12-6-10(8-19-9-12)7-14-15(21)20-16(17)24-14/h2-9,18H,1H3,(H2,17,20,21)/b14-7-
InChIKeyWYQFLYFUQOJPHD-AUWJEWJLSA-N
MW374.45 g/mol
LogP1.80
Rot. Bonds4

About 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide

4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 155541687) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID155541687
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide
SMILES[H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(S(=O)(=O)NC)cc3)c2)S1
InChIInChI=1S/C16H14N4O3S2/c1-18-25(22,23)13-4-2-11(3-5-13)12-6-10(8-19-9-12)7-14-15(21)20-16(17)24-14/h2-9,18H,1H3,(H2,17,20,21)/b14-7-
InChIKeyWYQFLYFUQOJPHD-AUWJEWJLSA-N
XLogP1.80
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155512072
N-[4-[2-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155523946
(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135589793
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 2042533
4-methyl-N-[4-oxo-5-(3-pyridinylmethylene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 5567755
N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155511579
(5Z)-5-[[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 155549000
N-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135895116
N-[(2E,5E)-4-oxo-5-(pyridin-3-ylmethylene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135521408
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 136727957
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 136865740
(5Z)-2-imino-5-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]methylidene]-1,3-thiazolidin-4-one
CID 155511880

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide (CID 155541687) is 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide is [H]/N=C1\NC(=O)/C(=C/c2cncc(-c3ccc(S(=O)(=O)NC)cc3)c2)S1.
What is the InChIKey of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is WYQFLYFUQOJPHD-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-18-25(22,23)13-4-2-11(3-5-13)12-6-10(8-19-9-12)7-14-15(21)20-16(17)24-14/h2-9,18H,1H3,(H2,17,20,21)/b14-7-.
What are the key properties of 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 374.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 155541687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).