(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

C16H20N2O2S — CID 96528839

IUPAC(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C16H20N2O2S/c1-4-14(20-15-8-6-5-7-11(15)2)16(19)18-10-13-9-17-12(3)21-13/h5-9,14H,4,10H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyUHOCLZNBKIEAQX-AWEZNQCLSA-N
MW304.42 g/mol
LogP3.23
Rot. Bonds6

About (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 96528839) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID96528839
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C16H20N2O2S/c1-4-14(20-15-8-6-5-7-11(15)2)16(19)18-10-13-9-17-12(3)21-13/h5-9,14H,4,10H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyUHOCLZNBKIEAQX-AWEZNQCLSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 97025150
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 96528839) is (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is CC[C@H](Oc1ccccc1C)C(=O)NCc1cnc(C)s1.
What is the InChIKey of (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is UHOCLZNBKIEAQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-14(20-15-8-6-5-7-11(15)2)16(19)18-10-13-9-17-12(3)21-13/h5-9,14H,4,10H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 96528839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).