(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

C16H13N3O2S — CID 135634493

IUPAC(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-6-4-12(5-7-13)18-15-14(22-16(20)19-15)9-11-3-2-8-17-10-11/h2-10H,1H3,(H,18,19,20)/b14-9-
InChIKeyVXRUAMPYSNWHAH-ZROIWOOFSA-N
MW311.37 g/mol
LogP3.62
Rot. Bonds3

About (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (PubChem CID 135634493) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
PubChem CID135634493
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
SMILESCOc1ccc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-6-4-12(5-7-13)18-15-14(22-16(20)19-15)9-11-3-2-8-17-10-11/h2-10H,1H3,(H,18,19,20)/b14-9-
InChIKeyVXRUAMPYSNWHAH-ZROIWOOFSA-N
XLogP3.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634506
(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634327
(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
CID 135711713
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-2-(4-ethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135844663
ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135546041
ethyl 4-hydroxy-2-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135445854
(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782375
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135672066
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one (CID 135634493) is (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is COc1ccc(/N=C2\NC(=O)S\C2=C/c2cccnc2)cc1.
What is the InChIKey of (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
The InChIKey is VXRUAMPYSNWHAH-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-6-4-12(5-7-13)18-15-14(22-16(20)19-15)9-11-3-2-8-17-10-11/h2-10H,1H3,(H,18,19,20)/b14-9-.
What are the key properties of (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one?
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one has a molecular weight of 311.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one is sourced from PubChem (CID 135634493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).