(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one

C21H19N3OS — CID 6443102

IUPAC(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H19N3OS/c1-15-6-10-19(11-7-15)24-20(25)13-26-21(24)23-14-22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,22H,13-14H2,1H3/b23-21-
InChIKeyAWVFKWMWVLAWAG-LNVKXUELSA-N
MW361.47 g/mol
LogP4.65
Rot. Bonds4

About (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one

(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one (PubChem CID 6443102) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one
PubChem CID6443102
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H19N3OS/c1-15-6-10-19(11-7-15)24-20(25)13-26-21(24)23-14-22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,22H,13-14H2,1H3/b23-21-
InChIKeyAWVFKWMWVLAWAG-LNVKXUELSA-N
XLogP4.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
1-(4-methylphenyl)-4-[(2Z)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,5-dihydropyrrole-3-carbonitrile
CID 25198263
(2E)-3-(3-methylphenyl)-2-[(E)-[3-(4-methylphenyl)chromen-2-ylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 18884876
1-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]phenyl]urea
CID 159562938
3-(4-tert-butylphenyl)-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172741720
(2E)-2-[(E)-chromen-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18884866
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135515217
[4-(4-methylphenyl)-3-oxo-5-phenyl-1,4-thiazepin-7-ylidene]-phenylazanium chloride
CID 11486972
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
[2-(naphthalen-2-ylamino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871371
3-(2-ethyl-5-methylphenyl)-2-methylimino-1,3-thiazolidin-4-one
CID 142385733

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one (CID 6443102) is (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS/C2=N\CNc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one?
The InChIKey is AWVFKWMWVLAWAG-LNVKXUELSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-6-10-19(11-7-15)24-20(25)13-26-21(24)23-14-22-18-9-8-16-4-2-3-5-17(16)12-18/h2-12,22H,13-14H2,1H3/b23-21-.
What are the key properties of (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one?
(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one has a molecular weight of 361.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6443102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).