3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

C18H14N2OS — CID 154975421

IUPAC3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=C(c1ccccc1)c1ccccc1)Nc1nccs1
InChIInChI=1S/C18H14N2OS/c21-17(20-18-19-11-12-22-18)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)
InChIKeyVFWZKLCTWXTYFU-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.21
Rot. Bonds4

About 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 154975421) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID154975421
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=C(c1ccccc1)c1ccccc1)Nc1nccs1
InChIInChI=1S/C18H14N2OS/c21-17(20-18-19-11-12-22-18)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,19,20,21)
InChIKeyVFWZKLCTWXTYFU-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 47299476
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
[(E)-2-benzamido-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-triphenylphosphanium
CID 6056327
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
CID 6172710
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 6091158
2-(2-chloropropanoylamino)-3-oxo-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 88648161
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 154975421) is 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=C(c1ccccc1)c1ccccc1)Nc1nccs1.
What is the InChIKey of 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is VFWZKLCTWXTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-17(20-18-19-11-12-22-18)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,19,20,21).
What are the key properties of 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 306.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 154975421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).