2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone

C18H23NO3S — CID 69324150

IUPAC2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCCCCN1C(C)=CSC1=CC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO3S/c1-5-6-9-19-13(2)12-23-18(19)11-16(20)15-8-7-14(21-3)10-17(15)22-4/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyHDCSAXHEZWOZFB-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.44
Rot. Bonds7

About 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone

2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 69324150) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID69324150
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCCCCN1C(C)=CSC1=CC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO3S/c1-5-6-9-19-13(2)12-23-18(19)11-16(20)15-8-7-14(21-3)10-17(15)22-4/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyHDCSAXHEZWOZFB-UHFFFAOYSA-N
XLogP4.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone 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

(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
CID 69324003
2-(3-butyl-4-tert-butyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69323133
(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(3-chloro-1-benzothiophen-2-yl)ethanone
CID 24955694
1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738319
(E)-1-(2,4-dimethoxyphenyl)pent-2-en-1-one
CID 103454091
2-[3-butyl-4-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-ylidene]-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69322444
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
CID 10516728
2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
CID 69188067
2-[3-butyl-5-(3-hydroxy-3-methylbut-1-ynyl)-4-methyl-1,3-thiazol-2-ylidene]-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69322537
(2Z)-2-[3-butyl-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-ylidene]-1-(5-chloro-2-methoxyphenyl)ethanone
CID 87719624

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone (CID 69324150) is 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone is CCCCN1C(C)=CSC1=CC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is HDCSAXHEZWOZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-6-9-19-13(2)12-23-18(19)11-16(20)15-8-7-14(21-3)10-17(15)22-4/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone?
2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 333.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 69324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).