(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide

C18H22N2OS — CID 110422689

IUPAC(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCc2cscn2)C(C)C)cc1
InChIInChI=1S/C18H22N2OS/c1-13(2)17(15-6-4-14(3)5-7-15)10-18(21)19-9-8-16-11-22-12-20-16/h4-7,10-13H,8-9H2,1-3H3,(H,19,21)/b17-10+
InChIKeyLLBUOFMBLLDGSY-LICLKQGHSA-N
MW314.45 g/mol
LogP3.85
Rot. Bonds6

About (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide

(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide (PubChem CID 110422689) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide
PubChem CID110422689
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide
SMILESCc1ccc(/C(=C/C(=O)NCCc2cscn2)C(C)C)cc1
InChIInChI=1S/C18H22N2OS/c1-13(2)17(15-6-4-14(3)5-7-15)10-18(21)19-9-8-16-11-22-12-20-16/h4-7,10-13H,8-9H2,1-3H3,(H,19,21)/b17-10+
InChIKeyLLBUOFMBLLDGSY-LICLKQGHSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-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

(E)-4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pent-2-enamide
CID 110632386
(E)-N-[3-(dimethylamino)propyl]-4-methyl-3-(4-methylphenyl)pent-2-enamide
CID 110408197
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
(4S)-3-[2-(4-methylphenyl)acetyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390001
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
CID 110422808
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide (CID 110422689) is (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide is Cc1ccc(/C(=C/C(=O)NCCc2cscn2)C(C)C)cc1.
What is the InChIKey of (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide?
The InChIKey is LLBUOFMBLLDGSY-LICLKQGHSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(2)17(15-6-4-14(3)5-7-15)10-18(21)19-9-8-16-11-22-12-20-16/h4-7,10-13H,8-9H2,1-3H3,(H,19,21)/b17-10+.
What are the key properties of (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide?
(E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide has a molecular weight of 314.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-3-(4-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pent-2-enamide is sourced from PubChem (CID 110422689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).