N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide

C16H13N3O4S2 — CID 155518942

IUPACN-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\SC(=O)NC3=O)c2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-
InChIKeyIMUDILUTOPVIKR-AUWJEWJLSA-N
MW375.43 g/mol
LogP2.44
Rot. Bonds4

About N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide

N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 155518942) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID155518942
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\SC(=O)NC3=O)c2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-
InChIKeyIMUDILUTOPVIKR-AUWJEWJLSA-N
XLogP2.44
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
(2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547146
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1810834
2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 5809710
N-(3-fluoro-4-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779669
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834866
N-(3,4-dimethylphenyl)-2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]acetamide
CID 1810799
3-(4-Methylphenyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1610940
N-[4-[6-amino-5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155511579

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide (CID 155518942) is N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\SC(=O)NC3=O)c2)cc1.
What is the InChIKey of N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is IMUDILUTOPVIKR-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-25(22,23)19-13-4-2-11(3-5-13)12-6-10(8-17-9-12)7-14-15(20)18-16(21)24-14/h2-9,19H,1H3,(H,18,20,21)/b14-7-.
What are the key properties of N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155518942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).