ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate

C22H20N2O3S — CID 27054734

IUPACethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H20N2O3S/c1-3-27-19(25)14-11-16-9-12-18(13-10-16)24-21(26)20-15(2)23-22(28-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)/b14-11+
InChIKeyXHZKVZFJACVJPN-SDNWHVSQSA-N
MW392.48 g/mol
LogP4.95
Rot. Bonds6

About ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate (PubChem CID 27054734) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
PubChem CID27054734
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Nameethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H20N2O3S/c1-3-27-19(25)14-11-16-9-12-18(13-10-16)24-21(26)20-15(2)23-22(28-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)/b14-11+
InChIKeyXHZKVZFJACVJPN-SDNWHVSQSA-N
XLogP4.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate 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

4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892921
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
CID 27902050
(E)-3-[4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342282
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 71799752
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
4-methyl-N-phenyl-2-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 60620632
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
ethyl 3-[4-[(2-methyl-2-phenylpropanoyl)amino]phenyl]prop-2-enoate
CID 74542837
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate (CID 27054734) is ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate?
The InChIKey is XHZKVZFJACVJPN-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-3-27-19(25)14-11-16-9-12-18(13-10-16)24-21(26)20-15(2)23-22(28-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)/b14-11+.
What are the key properties of ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate has a molecular weight of 392.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 27054734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).