2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one

C17H16N2O2S — CID 171986753

IUPAC2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(/N=C2/NC(=O)CS2)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-14-9-7-13(8-10-14)16(12-5-3-2-4-6-12)19-17-18-15(20)11-22-17/h2-10,16H,11H2,1H3,(H,18,19,20)
InChIKeyIZUACZWJJFYBOS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.00
Rot. Bonds4

About 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one

2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one (PubChem CID 171986753) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one
PubChem CID171986753
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(/N=C2/NC(=O)CS2)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-14-9-7-13(8-10-14)16(12-5-3-2-4-6-12)19-17-18-15(20)11-22-17/h2-10,16H,11H2,1H3,(H,18,19,20)
InChIKeyIZUACZWJJFYBOS-UHFFFAOYSA-N
XLogP3.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.00
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

2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
[4-[[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 135736980
[4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 135526763
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2110837
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] benzoate
CID 168575839
2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
CID 139818833
2-[(E)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172920535
2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573975

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one (CID 171986753) is 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one is COc1ccc(C(/N=C2/NC(=O)CS2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one?
The InChIKey is IZUACZWJJFYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-14-9-7-13(8-10-14)16(12-5-3-2-4-6-12)19-17-18-15(20)11-22-17/h2-10,16H,11H2,1H3,(H,18,19,20).
What are the key properties of 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one?
2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one has a molecular weight of 312.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 171986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).