2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one

C14H15N3OS — CID 136502439

IUPAC2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)C(Cc2cn(C)c3ccccc23)S1
InChIInChI=1S/C14H15N3OS/c1-15-14-16-13(18)12(19-14)7-9-8-17(2)11-6-4-3-5-10(9)11/h3-6,8,12H,7H2,1-2H3,(H,15,16,18)
InChIKeyCLTHVNWMIMXJBF-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.94
Rot. Bonds2

About 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one

2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 136502439) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID136502439
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)C(Cc2cn(C)c3ccccc23)S1
InChIInChI=1S/C14H15N3OS/c1-15-14-16-13(18)12(19-14)7-9-8-17(2)11-6-4-3-5-10(9)11/h3-6,8,12H,7H2,1-2H3,(H,15,16,18)
InChIKeyCLTHVNWMIMXJBF-UHFFFAOYSA-N
XLogP1.94
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.94
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

5-(1H-indol-3-ylmethyl)-2-methylimino-1,3-thiazolidin-4-one
CID 135480767
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
CID 141427495
3-(methoxymethyl)-1-methylindole
CID 18711466
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
3-(2-bromoethyl)-1-methylindole
CID 13153306
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one (CID 136502439) is 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one is C/N=C1\NC(=O)C(Cc2cn(C)c3ccccc23)S1.
What is the InChIKey of 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CLTHVNWMIMXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-15-14-16-13(18)12(19-14)7-9-8-17(2)11-6-4-3-5-10(9)11/h3-6,8,12H,7H2,1-2H3,(H,15,16,18).
What are the key properties of 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one?
2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 273.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-5-[(1-methylindol-3-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136502439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).