(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C13H14N2O3S — CID 2452101

IUPAC(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\SCC(=O)N1C
InChIInChI=1S/C13H14N2O3S/c1-15-12(17)8-19-13(15)7-11(16)14-9-5-3-4-6-10(9)18-2/h3-7H,8H2,1-2H3,(H,14,16)/b13-7-
InChIKeyJFPHEBZETBRQDS-QPEQYQDCSA-N
MW278.33 g/mol
LogP1.68
Rot. Bonds3

About (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide

(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 2452101) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID2452101
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=C1\SCC(=O)N1C
InChIInChI=1S/C13H14N2O3S/c1-15-12(17)8-19-13(15)7-11(16)14-9-5-3-4-6-10(9)18-2/h3-7H,8H2,1-2H3,(H,14,16)/b13-7-
InChIKeyJFPHEBZETBRQDS-QPEQYQDCSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
5-(4-Methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione
CID 3155776
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}acetamide
CID 8240066
4-Thiazolidinone, 5-(ethoxymethylene)-3-(2-methoxyphenyl)-2-thioxo-
CID 292898
3-(2-Methoxyphenyl)-1,3-thiazolidine-2-carboxamide
CID 606565
5-(2-Methoxy-phenylamino)-3-phenyl-thiazolidine-2,4-dione
CID 649284
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2,5,5-tetramethyl-thiazolidin-4-one
CID 10525345
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 10571658

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 2452101) is (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide is COc1ccccc1NC(=O)/C=C1\SCC(=O)N1C.
What is the InChIKey of (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is JFPHEBZETBRQDS-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-12(17)8-19-13(15)7-11(16)14-9-5-3-4-6-10(9)18-2/h3-7H,8H2,1-2H3,(H,14,16)/b13-7-.
What are the key properties of (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
(2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 2452101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).