(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C19H19N3O3S — CID 9252344

IUPAC(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1csc(C)n1
InChIInChI=1S/C19H19N3O3S/c1-12-21-16(11-26-12)10-25-17-6-3-13(8-18(17)24-2)7-14(9-20)19(23)22-15-4-5-15/h3,6-8,11,15H,4-5,10H2,1-2H3,(H,22,23)/b14-7+
InChIKeyYSFDVHGMDDALBK-VGOFMYFVSA-N
MW369.45 g/mol
LogP3.22
Rot. Bonds7

About (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 9252344) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
PubChem CID9252344
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1csc(C)n1
InChIInChI=1S/C19H19N3O3S/c1-12-21-16(11-26-12)10-25-17-6-3-13(8-18(17)24-2)7-14(9-20)19(23)22-15-4-5-15/h3,6-8,11,15H,4-5,10H2,1-2H3,(H,22,23)/b14-7+
InChIKeyYSFDVHGMDDALBK-VGOFMYFVSA-N
XLogP3.22
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.22
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-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]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-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-prop-2-enylprop-2-enamide
CID 9252323
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
(E)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 7784022
(Z)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19183837
2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 94851253
4-[[4-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 126198729
4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
CID 2269013
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
CID 35746509
(E)-2-cyano-N-cyclohexyl-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 7967070
(2S)-2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]propanoate
CID 7276337
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
2-cyano-N-cyclohexyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 4246307

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 9252344) is (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1csc(C)n1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The InChIKey is YSFDVHGMDDALBK-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-21-16(11-26-12)10-25-17-6-3-13(8-18(17)24-2)7-14(9-20)19(23)22-15-4-5-15/h3,6-8,11,15H,4-5,10H2,1-2H3,(H,22,23)/b14-7+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 369.45 g/mol, XLogP of 3.22, 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-cyclopropyl-3-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 9252344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).