N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

C15H17N3O3S — CID 18139540

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2nc(CC(N)=O)cs2)c1
InChIInChI=1S/C15H17N3O3S/c1-9-4-3-5-12(6-9)21-10(2)14(20)18-15-17-11(8-22-15)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyBCZJSBOSPQZASB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.89
Rot. Bonds6

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

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 18139540) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID18139540
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2nc(CC(N)=O)cs2)c1
InChIInChI=1S/C15H17N3O3S/c1-9-4-3-5-12(6-9)21-10(2)14(20)18-15-17-11(8-22-15)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyBCZJSBOSPQZASB-UHFFFAOYSA-N
XLogP1.89
TPSA94.31 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 55776172
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(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
(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
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388233
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (CID 18139540) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2nc(CC(N)=O)cs2)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is BCZJSBOSPQZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-4-3-5-12(6-9)21-10(2)14(20)18-15-17-11(8-22-15)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 319.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 18139540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).