(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C19H18N2O2S — CID 2640444

IUPAC(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H18N2O2S/c1-13-7-6-10-16(11-13)23-14(2)18(22)21-19-20-17(12-24-19)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyCSGDWDIZLYXXEX-AWEZNQCLSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2640444) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID2640444
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H18N2O2S/c1-13-7-6-10-16(11-13)23-14(2)18(22)21-19-20-17(12-24-19)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyCSGDWDIZLYXXEX-AWEZNQCLSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 16532959
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 2640444) is (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CSGDWDIZLYXXEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-7-6-10-16(11-13)23-14(2)18(22)21-19-20-17(12-24-19)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 338.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2640444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).