(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

C21H21N3O3S — CID 7986672

IUPAC(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-5-4-6-18(11-13)27-14(2)20(26)24-21-23-19(12-28-21)16-7-9-17(10-8-16)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,24,26)/t14-/m0/s1
InChIKeyCGOWMRPXONGLAO-AWEZNQCLSA-N
MW395.48 g/mol
LogP4.48
Rot. Bonds6

About (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 7986672) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID7986672
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-13-5-4-6-18(11-13)27-14(2)20(26)24-21-23-19(12-28-21)16-7-9-17(10-8-16)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,24,26)/t14-/m0/s1
InChIKeyCGOWMRPXONGLAO-AWEZNQCLSA-N
XLogP4.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
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
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
CID 46436013
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (CID 7986672) is (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1.
What is the InChIKey of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is CGOWMRPXONGLAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-5-4-6-18(11-13)27-14(2)20(26)24-21-23-19(12-28-21)16-7-9-17(10-8-16)22-15(3)25/h4-12,14H,1-3H3,(H,22,25)(H,23,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 395.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 7986672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).