2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide

C20H27N3O3S — CID 25119955

IUPAC2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cs/c(=N\C3CCCCC3)n2C)cc1OC
InChIInChI=1S/C20H27N3O3S/c1-23-16(13-27-20(23)22-14-7-5-4-6-8-14)12-19(24)21-15-9-10-17(25-2)18(11-15)26-3/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,24)/b22-20-
InChIKeyQUPXSPFPFJGCQW-XDOYNYLZSA-N
MW389.52 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 25119955) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID25119955
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cs/c(=N\C3CCCCC3)n2C)cc1OC
InChIInChI=1S/C20H27N3O3S/c1-23-16(13-27-20(23)22-14-7-5-4-6-8-14)12-19(24)21-15-9-10-17(25-2)18(11-15)26-3/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,24)/b22-20-
InChIKeyQUPXSPFPFJGCQW-XDOYNYLZSA-N
XLogP3.52
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide 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

2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 25119605
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 11683989
N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122057
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 25119955) is 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2cs/c(=N\C3CCCCC3)n2C)cc1OC.
What is the InChIKey of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QUPXSPFPFJGCQW-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-23-16(13-27-20(23)22-14-7-5-4-6-8-14)12-19(24)21-15-9-10-17(25-2)18(11-15)26-3/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,24)/b22-20-.
What are the key properties of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 25119955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).