3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide

C25H20N2OS2 — CID 141157805

IUPAC3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(C(S/C=C\c2nccs2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20N2OS2/c26-24(28)19-8-7-13-22(18-19)25(20-9-3-1-4-10-20,21-11-5-2-6-12-21)30-16-14-23-27-15-17-29-23/h1-18H,(H2,26,28)/b16-14-
InChIKeyYPBFUBJUQMGHAG-PEZBUJJGSA-N
MW428.58 g/mol
LogP5.94
Rot. Bonds7

About 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide

3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide (PubChem CID 141157805) has the molecular formula C25H20N2OS2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide
PubChem CID141157805
Molecular FormulaC25H20N2OS2
Molecular Weight428.58 g/mol
Exact Mass428.10
IUPAC Name3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(C(S/C=C\c2nccs2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20N2OS2/c26-24(28)19-8-7-13-22(18-19)25(20-9-3-1-4-10-20,21-11-5-2-6-12-21)30-16-14-23-27-15-17-29-23/h1-18H,(H2,26,28)/b16-14-
InChIKeyYPBFUBJUQMGHAG-PEZBUJJGSA-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'}

Analyze 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide?
The IUPAC name of 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide (CID 141157805) is 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide?
The canonical SMILES for 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide is NC(=O)c1cccc(C(S/C=C\c2nccs2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide?
The InChIKey is YPBFUBJUQMGHAG-PEZBUJJGSA-N. The full InChI is InChI=1S/C25H20N2OS2/c26-24(28)19-8-7-13-22(18-19)25(20-9-3-1-4-10-20,21-11-5-2-6-12-21)30-16-14-23-27-15-17-29-23/h1-18H,(H2,26,28)/b16-14-.
What are the key properties of 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide?
3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide 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 3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide is sourced from PubChem (CID 141157805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).