(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide

C23H18ClN5O2S — CID 17118377

IUPAC(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
SMILESO=C(/C=C1\S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O2S/c24-18-6-1-7-19(10-18)28-21(30)11-20-22(31)29(15-17-5-3-9-26-13-17)23(32-20)27-14-16-4-2-8-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11-,27-23-
InChIKeyXAABZXDGWUVDFT-PQHUPVKOSA-N
MW463.95 g/mol
LogP4.28
Rot. Bonds6

About (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide

(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide (PubChem CID 17118377) has the molecular formula C23H18ClN5O2S and a molecular weight of 463.95 g/mol. Its IUPAC name is (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
PubChem CID17118377
Molecular FormulaC23H18ClN5O2S
Molecular Weight463.95 g/mol
Exact Mass463.09
IUPAC Name(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
SMILESO=C(/C=C1\S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O2S/c24-18-6-1-7-19(10-18)28-21(30)11-20-22(31)29(15-17-5-3-9-26-13-17)23(32-20)27-14-16-4-2-8-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11-,27-23-
InChIKeyXAABZXDGWUVDFT-PQHUPVKOSA-N
XLogP4.28
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 4600825
N-(4-methoxyphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 4260825
N-(3-chlorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 5042171
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-(1,3-thiazol-2-yl)acetamide
CID 5263531
2-[3-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylimino]-4-oxo-1,3-thiazolidin-5-ylidene]-N-(4-methoxyphenyl)acetamide
CID 4038079
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
(5Z)-3-benzyl-2-benzylimino-5-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 21209512
(5Z)-3-benzyl-2-benzylimino-5-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126084072
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809115
(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 21207022
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The IUPAC name of (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide (CID 17118377) is (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide.
What is the SMILES notation for (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The canonical SMILES for (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide is O=C(/C=C1\S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The InChIKey is XAABZXDGWUVDFT-PQHUPVKOSA-N. The full InChI is InChI=1S/C23H18ClN5O2S/c24-18-6-1-7-19(10-18)28-21(30)11-20-22(31)29(15-17-5-3-9-26-13-17)23(32-20)27-14-16-4-2-8-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11-,27-23-.
What are the key properties of (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide has a molecular weight of 463.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide is sourced from PubChem (CID 17118377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).