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

C17H22N2O2S — CID 35343158

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C17H22N2O2S/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)18-6-5-15-10-22-14(4)19-15/h7-10,13H,5-6H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyAKLKGFPIJKEYNZ-ZDUSSCGKSA-N
MW318.44 g/mol
LogP3.19
Rot. Bonds6

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

(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 35343158) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID35343158
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(C)n2)c1
InChIInChI=1S/C17H22N2O2S/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)18-6-5-15-10-22-14(4)19-15/h7-10,13H,5-6H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyAKLKGFPIJKEYNZ-ZDUSSCGKSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108760271
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568221
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35341887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 35343158) is (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(C)n2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is AKLKGFPIJKEYNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)18-6-5-15-10-22-14(4)19-15/h7-10,13H,5-6H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 35343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).