(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide

C15H17N3O3S — CID 94801580

IUPAC(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2)s1
InChIInChI=1S/C15H17N3O3S/c1-10-8-16-15(22-10)18-14(20)11(2)17-13(19)9-21-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,19)(H,16,18,20)/t11-/m1/s1
InChIKeyXYEOZJQXKSHOEU-LLVKDONJSA-N
MW319.39 g/mol
LogP1.97
Rot. Bonds6

About (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide

(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 94801580) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID94801580
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2)s1
InChIInChI=1S/C15H17N3O3S/c1-10-8-16-15(22-10)18-14(20)11(2)17-13(19)9-21-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,19)(H,16,18,20)/t11-/m1/s1
InChIKeyXYEOZJQXKSHOEU-LLVKDONJSA-N
XLogP1.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4052985
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
2-(3-acetylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673036
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46491720
benzyl N-[(2S)-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 60616500
N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 4789688
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 124557642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide (CID 94801580) is (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide is Cc1cnc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2)s1.
What is the InChIKey of (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is XYEOZJQXKSHOEU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-8-16-15(22-10)18-14(20)11(2)17-13(19)9-21-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,19)(H,16,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 319.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 94801580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).