2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

C21H19N3O2S — CID 46597025

IUPAC2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)Oc3ccccc3C#N)n2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-13-8-9-17(14(2)10-13)18-12-27-21(23-18)24-20(25)15(3)26-19-7-5-4-6-16(19)11-22/h4-10,12,15H,1-3H3,(H,23,24,25)
InChIKeyYVYWCZRSSGJVQW-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 46597025) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID46597025
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)Oc3ccccc3C#N)n2)c(C)c1
InChIInChI=1S/C21H19N3O2S/c1-13-8-9-17(14(2)10-13)18-12-27-21(23-18)24-20(25)15(3)26-19-7-5-4-6-16(19)11-22/h4-10,12,15H,1-3H3,(H,23,24,25)
InChIKeyYVYWCZRSSGJVQW-UHFFFAOYSA-N
XLogP4.70
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 55895475
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
[(2R)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 41259189
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
2-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956001
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 46597025) is 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)Oc3ccccc3C#N)n2)c(C)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YVYWCZRSSGJVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-8-9-17(14(2)10-13)18-12-27-21(23-18)24-20(25)15(3)26-19-7-5-4-6-16(19)11-22/h4-10,12,15H,1-3H3,(H,23,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 46597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).