2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C21H22N2O2S — CID 17165615

IUPAC2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H22N2O2S/c1-14-9-15(2)11-19(10-14)25-16(3)20(24)22-12-18-13-26-21(23-18)17-7-5-4-6-8-17/h4-11,13,16H,12H2,1-3H3,(H,22,24)
InChIKeyLCVNEAIWUKIESF-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.51
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 17165615) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID17165615
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H22N2O2S/c1-14-9-15(2)11-19(10-14)25-16(3)20(24)22-12-18-13-26-21(23-18)17-7-5-4-6-8-17/h4-11,13,16H,12H2,1-3H3,(H,22,24)
InChIKeyLCVNEAIWUKIESF-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 17165880
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819706
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261861
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
2-(4-tert-butylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 23613110
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819769
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 17165615) is 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is LCVNEAIWUKIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14-9-15(2)11-19(10-14)25-16(3)20(24)22-12-18-13-26-21(23-18)17-7-5-4-6-8-17/h4-11,13,16H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 17165615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).