(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C13H16N4OS — CID 127048216

IUPAC(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1
InChIInChI=1S/C13H16N4OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-3-5-11(14)6-4-10/h3-6H,7-8,14H2,1-2H3/b16-13-
InChIKeyGGQSYUZYBFPVDG-SSZFMOIBSA-N
MW276.37 g/mol
LogP2.10
Rot. Bonds3

About (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 127048216) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID127048216
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1
InChIInChI=1S/C13H16N4OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-3-5-11(14)6-4-10/h3-6H,7-8,14H2,1-2H3/b16-13-
InChIKeyGGQSYUZYBFPVDG-SSZFMOIBSA-N
XLogP2.10
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
4-(Dimethylamino)benzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135486018
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
2-(4-Aminophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 49860521
2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(p-tolyl)acetamide
CID 135831424
3-[(4-Aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12052430
N-ethyl-2-{2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetamide
CID 135401383
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 2998598
(2E)-3-benzyl-2-(isopropylidenehydrazono)thiazolidin-4-one
CID 118714703
(2E)-3-benzyl-2-[(Z)-butan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714704
(2E)-3-benzyl-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714705
(2E)-3-benzyl-2-(1-ethylpropylidenehydrazono)thiazolidin-4-one
CID 118714706

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 127048216) is (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1.
What is the InChIKey of (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is GGQSYUZYBFPVDG-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-3-5-11(14)6-4-10/h3-6H,7-8,14H2,1-2H3/b16-13-.
What are the key properties of (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 276.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127048216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).