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

C18H13ClN4O2S — CID 3079568

IUPAC5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CS/C1=N\c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H13ClN4O2S/c19-12-6-7-14-11(8-12)9-15(21-14)17(25)22-23-16(24)10-26-18(23)20-13-4-2-1-3-5-13/h1-9,21H,10H2,(H,22,25)/b20-18-
InChIKeyRTABUESMAUQUPI-ZZEZOPTASA-N
MW384.85 g/mol
LogP3.73
Rot. Bonds3

About 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide

5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 3079568) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
PubChem CID3079568
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CS/C1=N\c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H13ClN4O2S/c19-12-6-7-14-11(8-12)9-15(21-14)17(25)22-23-16(24)10-26-18(23)20-13-4-2-1-3-5-13/h1-9,21H,10H2,(H,22,25)/b20-18-
InChIKeyRTABUESMAUQUPI-ZZEZOPTASA-N
XLogP3.73
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide (CID 3079568) is 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide is O=C(NN1C(=O)CS/C1=N\c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is RTABUESMAUQUPI-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-12-6-7-14-11(8-12)9-15(21-14)17(25)22-23-16(24)10-26-18(23)20-13-4-2-1-3-5-13/h1-9,21H,10H2,(H,22,25)/b20-18-.
What are the key properties of 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide?
5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 3079568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).