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

C21H22N4O4S — CID 30941849

IUPACN-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)c1
InChIInChI=1S/C21H22N4O4S/c1-13(26)22-14-5-4-6-15(9-14)23-20(27)10-16-12-30-21(24-16)25-18-11-17(28-2)7-8-19(18)29-3/h4-9,11-12H,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyAZYCYRWMRYFWIM-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.04
Rot. Bonds8

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

N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30941849) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30941849
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)c1
InChIInChI=1S/C21H22N4O4S/c1-13(26)22-14-5-4-6-15(9-14)23-20(27)10-16-12-30-21(24-16)25-18-11-17(28-2)7-8-19(18)29-3/h4-9,11-12H,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyAZYCYRWMRYFWIM-UHFFFAOYSA-N
XLogP4.04
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
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
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
N-(4-methoxy-3-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567571

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide (CID 30941849) is N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide is COc1ccc(OC)c(Nc2nc(CC(=O)Nc3cccc(NC(C)=O)c3)cs2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is AZYCYRWMRYFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-13(26)22-14-5-4-6-15(9-14)23-20(27)10-16-12-30-21(24-16)25-18-11-17(28-2)7-8-19(18)29-3/h4-9,11-12H,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30941849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).