2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H18N4O3S2 — CID 30941542

IUPAC2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3nc(C)cs3)cs2)c1
InChIInChI=1S/C17H18N4O3S2/c1-10-8-25-16(18-10)21-15(22)6-11-9-26-17(19-11)20-13-7-12(23-2)4-5-14(13)24-3/h4-5,7-9H,6H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyUTHLSJDNRVWMGJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 30941542) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID30941542
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3nc(C)cs3)cs2)c1
InChIInChI=1S/C17H18N4O3S2/c1-10-8-25-16(18-10)21-15(22)6-11-9-26-17(19-11)20-13-7-12(23-2)4-5-14(13)24-3/h4-5,7-9H,6H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyUTHLSJDNRVWMGJ-UHFFFAOYSA-N
XLogP3.85
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)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-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 27463148
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119421203
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27377889
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 9154786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 30941542) is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(OC)c(Nc2nc(CC(=O)Nc3nc(C)cs3)cs2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UTHLSJDNRVWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-10-8-25-16(18-10)21-15(22)6-11-9-26-17(19-11)20-13-7-12(23-2)4-5-14(13)24-3/h4-5,7-9H,6H2,1-3H3,(H,19,20)(H,18,21,22).
What are the key properties of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30941542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).