5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide

C25H20N2OS2 — CID 68601263

IUPAC5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C25H20N2OS2/c26-23(28)24-27-18-22(30-24)16-17-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H2,26,28)
InChIKeyHZANXFGHGGSTRI-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.94
Rot. Bonds7

About 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide

5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide (PubChem CID 68601263) has the molecular formula C25H20N2OS2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
PubChem CID68601263
Molecular FormulaC25H20N2OS2
Molecular Weight428.58 g/mol
Exact Mass428.10
IUPAC Name5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C25H20N2OS2/c26-23(28)24-27-18-22(30-24)16-17-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H2,26,28)
InChIKeyHZANXFGHGGSTRI-UHFFFAOYSA-N
XLogP5.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide (CID 68601263) is 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is HZANXFGHGGSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2OS2/c26-23(28)24-27-18-22(30-24)16-17-29-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H2,26,28).
What are the key properties of 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide?
5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68601263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).