2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C20H21N3O2S — CID 9027489

IUPAC2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1NCc1csc(CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-7-9-15(10-8-14)22-19(24)11-20-23-16(13-26-20)12-21-17-5-3-4-6-18(17)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyFVAFKCFWNDKJBY-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.25
Rot. Bonds7

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

2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 9027489) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID9027489
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1NCc1csc(CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-7-9-15(10-8-14)22-19(24)11-20-23-16(13-26-20)12-21-17-5-3-4-6-18(17)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)
InChIKeyFVAFKCFWNDKJBY-UHFFFAOYSA-N
XLogP4.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168636
2-[4-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9169453
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 2455372
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 112796951
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
N-(4-methylphenyl)-2-[4-[(1-naphthalen-1-ylethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 85000604
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-phenylbutanoate
CID 8758822
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 9027489) is 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is COc1ccccc1NCc1csc(CC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is FVAFKCFWNDKJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-7-9-15(10-8-14)22-19(24)11-20-23-16(13-26-20)12-21-17-5-3-4-6-18(17)25-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).