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

C20H21N3O3S — CID 27377933

IUPAC2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1
InChIInChI=1S/C20H21N3O3S/c1-13-4-6-14(7-5-13)21-19(24)10-15-12-27-20(22-15)23-17-11-16(25-2)8-9-18(17)26-3/h4-9,11-12H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRGIBVWZQEHAIJR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.39
Rot. Bonds7

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

2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 27377933) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID27377933
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1
InChIInChI=1S/C20H21N3O3S/c1-13-4-6-14(7-5-13)21-19(24)10-15-12-27-20(22-15)23-17-11-16(25-2)8-9-18(17)26-3/h4-9,11-12H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRGIBVWZQEHAIJR-UHFFFAOYSA-N
XLogP4.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27377889
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168636
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-[4-(2,5-dimethoxyanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112987885
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide (CID 27377933) is 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide is COc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is RGIBVWZQEHAIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-4-6-14(7-5-13)21-19(24)10-15-12-27-20(22-15)23-17-11-16(25-2)8-9-18(17)26-3/h4-9,11-12H,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide?
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 27377933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).