N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine

C20H20N2O2S — CID 25165606

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccccc2)cs/c1=N\C1COc2ccccc21
InChIInChI=1S/C20H20N2O2S/c1-23-12-11-22-18(15-7-3-2-4-8-15)14-25-20(22)21-17-13-24-19-10-6-5-9-16(17)19/h2-10,14,17H,11-13H2,1H3/b21-20-
InChIKeyGRPCRLWNYMICTI-MRCUWXFGSA-N
MW352.46 g/mol
LogP3.90
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine

N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 25165606) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID25165606
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2ccccc2)cs/c1=N\C1COc2ccccc21
InChIInChI=1S/C20H20N2O2S/c1-23-12-11-22-18(15-7-3-2-4-8-15)14-25-20(22)21-17-13-24-19-10-6-5-9-16(17)19/h2-10,14,17H,11-13H2,1H3/b21-20-
InChIKeyGRPCRLWNYMICTI-MRCUWXFGSA-N
XLogP3.90
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine 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

Thiazolo[3,2-b][2,4]benzodiazepine, 5,10-dihydro-3-Methyl-2-[4-[3-[(2R)-2-Methyl-1-pyrrolidinyl]propoxy]phenyl]-
CID 71254303
4-[3-[4-(1-Methyl-5,10-dihydro-[1,3]thiazolo[3,2-b][2,4]benzodiazepin-2-yl)phenoxy]propyl]morpholine
CID 71254306
7-[(2-Methylphenoxy)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16009343
7-[(2,6-Dimethylphenoxy)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16009349
(13E)-8-(2-methoxyphenyl)-13-[(2-methoxyphenyl)methylidene]-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333203
(9E)-5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969247
(13E)-11-ethyl-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-6-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 56969697
2-[2-(4-Ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol
CID 4150994
5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162655919
5-(4-methoxyphenyl)-7-[(E)-2-(4-methoxyphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162660010
N-[(2E)-4-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2(3H)-ylidene]ethanamine
CID 671966
[4-(trifluoromethoxy)phenyl]methyl N-ethyl-N-[(Z)-1-(2-methoxyphenyl)but-1-enyl]-N'-methylcarbamimidothioate
CID 142949003

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine (CID 25165606) is N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine is COCCn1c(-c2ccccc2)cs/c1=N\C1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is GRPCRLWNYMICTI-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-23-12-11-22-18(15-7-3-2-4-8-15)14-25-20(22)21-17-13-24-19-10-6-5-9-16(17)19/h2-10,14,17H,11-13H2,1H3/b21-20-.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine?
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 352.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-3-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 25165606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).