(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

C22H19N3O3S — CID 19195501

IUPAC(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1-c1csc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C22H19N3O3S/c1-3-28-20-7-5-4-6-18(20)19-14-29-22(24-19)25-21(26)16(13-23)12-15-8-10-17(27-2)11-9-15/h4-12,14H,3H2,1-2H3,(H,24,25,26)/b16-12+
InChIKeyUSMHJJQQSWLPGM-FOWTUZBSSA-N
MW405.48 g/mol
LogP4.76
Rot. Bonds7

About (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19195501) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID19195501
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1-c1csc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C22H19N3O3S/c1-3-28-20-7-5-4-6-18(20)19-14-29-22(24-19)25-21(26)16(13-23)12-15-8-10-17(27-2)11-9-15/h4-12,14H,3H2,1-2H3,(H,24,25,26)/b16-12+
InChIKeyUSMHJJQQSWLPGM-FOWTUZBSSA-N
XLogP4.76
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)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

(E)-2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 19195554
(E)-2-cyano-3-(4-ethoxyphenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7928001
(E)-2-cyano-3-(4-methoxyphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 19227254
[4-[(E)-2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] formate
CID 162423547
N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 2787362
(E)-2-cyano-3-(2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 19175621
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
(E)-2-cyano-3-(2-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2240913
2-cyano-3-[4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 171331661
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide (CID 19195501) is (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide is CCOc1ccccc1-c1csc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1.
What is the InChIKey of (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is USMHJJQQSWLPGM-FOWTUZBSSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-3-28-20-7-5-4-6-18(20)19-14-29-22(24-19)25-21(26)16(13-23)12-15-8-10-17(27-2)11-9-15/h4-12,14H,3H2,1-2H3,(H,24,25,26)/b16-12+.
What are the key properties of (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 405.48 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19195501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).