3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide

C19H16N4O2S — CID 3025819

IUPAC3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)CS/C2=N\c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H16N4O2S/c1-12-14-9-5-6-10-15(14)21-17(12)18(25)22-23-16(24)11-26-19(23)20-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,22,25)/b20-19-
InChIKeyQKYSHDHRORROLS-VXPUYCOJSA-N
MW364.43 g/mol
LogP3.38
Rot. Bonds3

About 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide

3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 3025819) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
PubChem CID3025819
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NN2C(=O)CS/C2=N\c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H16N4O2S/c1-12-14-9-5-6-10-15(14)21-17(12)18(25)22-23-16(24)11-26-19(23)20-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,22,25)/b20-19-
InChIKeyQKYSHDHRORROLS-VXPUYCOJSA-N
XLogP3.38
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide (CID 3025819) is 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide is Cc1c(C(=O)NN2C(=O)CS/C2=N\c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is QKYSHDHRORROLS-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-14-9-5-6-10-15(14)21-17(12)18(25)22-23-16(24)11-26-19(23)20-13-7-3-2-4-8-13/h2-10,21H,11H2,1H3,(H,22,25)/b20-19-.
What are the key properties of 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 3025819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).