(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide

C15H18N2O2S — CID 8797574

IUPAC(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-9-6-5-7-13(8-9)19-11(3)14(18)17-15-16-10(2)12(4)20-15/h5-8,11H,1-4H3,(H,16,17,18)/t11-/m1/s1
InChIKeyZIFONJUJJNBANJ-LLVKDONJSA-N
MW290.39 g/mol
LogP3.47
Rot. Bonds4

About (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 8797574) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
PubChem CID8797574
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-9-6-5-7-13(8-9)19-11(3)14(18)17-15-16-10(2)12(4)20-15/h5-8,11H,1-4H3,(H,16,17,18)/t11-/m1/s1
InChIKeyZIFONJUJJNBANJ-LLVKDONJSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide
CID 4035367
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide (CID 8797574) is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is ZIFONJUJJNBANJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-6-5-7-13(8-9)19-11(3)14(18)17-15-16-10(2)12(4)20-15/h5-8,11H,1-4H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 290.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 8797574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).