(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine

C12H14N4OS — CID 138376648

IUPAC(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\NC(=O)C(Cc2ccccc2C)S1
InChIInChI=1S/C12H14N4OS/c1-7-4-2-3-5-8(7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyNVSQPBRVLVBMMP-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.02
Rot. Bonds2

About (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine

(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine (PubChem CID 138376648) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine.

Molecular Properties

Compound Name(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
PubChem CID138376648
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\NC(=O)C(Cc2ccccc2C)S1
InChIInChI=1S/C12H14N4OS/c1-7-4-2-3-5-8(7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17)
InChIKeyNVSQPBRVLVBMMP-UHFFFAOYSA-N
XLogP1.02
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136678559
(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135851686
(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856621
(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135788955
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 154777202
(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
(2E,5S)-5-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780022
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135856692
N-(1,3-benzodioxol-5-yl)-2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 154777200
(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135554894
5-[(2-methylphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135485158
(2E)-5-[(2-methylphenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711927

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The IUPAC name of (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine (CID 138376648) is (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine.
What is the SMILES notation for (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The canonical SMILES for (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine is [H]/N=C(N)/N=C1\NC(=O)C(Cc2ccccc2C)S1.
What is the InChIKey of (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The InChIKey is NVSQPBRVLVBMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-4-2-3-5-8(7)6-9-10(17)15-12(18-9)16-11(13)14/h2-5,9H,6H2,1H3,(H4,13,14,15,16,17).
What are the key properties of (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
(1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine has a molecular weight of 262.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]guanidine is sourced from PubChem (CID 138376648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).