(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

C13H12N2OS — CID 2189305

IUPAC(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N2OS/c1-10(9-11-5-3-2-4-6-11)12(16)15-13-14-7-8-17-13/h2-9H,1H3,(H,14,15,16)/b10-9+
InChIKeyNMSJVSMDGGLYBX-MDZDMXLPSA-N
MW244.32 g/mol
LogP3.19
Rot. Bonds3

About (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2189305) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2189305
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N2OS/c1-10(9-11-5-3-2-4-6-11)12(16)15-13-14-7-8-17-13/h2-9H,1H3,(H,14,15,16)/b10-9+
InChIKeyNMSJVSMDGGLYBX-MDZDMXLPSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
Mls000757107
CID 324088
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 2189305) is (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is NMSJVSMDGGLYBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-10(9-11-5-3-2-4-6-11)12(16)15-13-14-7-8-17-13/h2-9H,1H3,(H,14,15,16)/b10-9+.
What are the key properties of (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 244.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2189305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).