2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole

C22H26N2OS — CID 134240381

IUPAC2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole
SMILESC=C1N=C(CC)SC1Cc1ccc(OCCc2ccc(CC)cn2)cc1
InChIInChI=1S/C22H26N2OS/c1-4-17-6-9-19(23-15-17)12-13-25-20-10-7-18(8-11-20)14-21-16(3)24-22(5-2)26-21/h6-11,15,21H,3-5,12-14H2,1-2H3
InChIKeyVOLCIMSJAZPHGK-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.25
Rot. Bonds8

About 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole

2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole (PubChem CID 134240381) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole
PubChem CID134240381
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole
SMILESC=C1N=C(CC)SC1Cc1ccc(OCCc2ccc(CC)cn2)cc1
InChIInChI=1S/C22H26N2OS/c1-4-17-6-9-19(23-15-17)12-13-25-20-10-7-18(8-11-20)14-21-16(3)24-22(5-2)26-21/h6-11,15,21H,3-5,12-14H2,1-2H3
InChIKeyVOLCIMSJAZPHGK-UHFFFAOYSA-N
XLogP5.25
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole 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

CID 87897089
CID 87897089
[5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]phosphonic acid
CID 56947425
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2-hydroxy-1,3-thiazolidin-4-one
CID 123189296
3-acetyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 58579208
4-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine
CID 18687650
tert-butyl 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidine-3-carboxylate
CID 56947424
bis[2-amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4,5-dihydro-1,3-thiazol-4-yl]methanone
CID 175486139
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
CID 87413550
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-3-(2-methylpentanoyl)-1,3-thiazolidine-2,4-dione
CID 58579210
[5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl propyl carbonate
CID 58096445
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-3-hexadecanoyl-1,3-thiazolidine-2,4-dione
CID 118213329
(2R,3S)-2,3-dibenzoyloxybutanedioic acid;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 50913271

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole?
The IUPAC name of 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole (CID 134240381) is 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole is C=C1N=C(CC)SC1Cc1ccc(OCCc2ccc(CC)cn2)cc1.
What is the InChIKey of 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole?
The InChIKey is VOLCIMSJAZPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-4-17-6-9-19(23-15-17)12-13-25-20-10-7-18(8-11-20)14-21-16(3)24-22(5-2)26-21/h6-11,15,21H,3-5,12-14H2,1-2H3.
What are the key properties of 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole?
2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole has a molecular weight of 366.53 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-methylidene-1,3-thiazole is sourced from PubChem (CID 134240381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).