N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide

C15H15Cl2N3O3S2 — CID 55583774

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCc1nc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)sc1SCC(N)=O
InChIInChI=1S/C15H15Cl2N3O3S2/c1-7-14(24-6-12(18)21)25-15(19-7)20-13(22)8(2)23-11-4-3-9(16)5-10(11)17/h3-5,8H,6H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyGWKSZKAWQNOELO-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.74
Rot. Bonds7

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 55583774) has the molecular formula C15H15Cl2N3O3S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID55583774
Molecular FormulaC15H15Cl2N3O3S2
Molecular Weight420.34 g/mol
Exact Mass418.99
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCc1nc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)sc1SCC(N)=O
InChIInChI=1S/C15H15Cl2N3O3S2/c1-7-14(24-6-12(18)21)25-15(19-7)20-13(22)8(2)23-11-4-3-9(16)5-10(11)17/h3-5,8H,6H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyGWKSZKAWQNOELO-UHFFFAOYSA-N
XLogP3.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 55851834
ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1291639
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 39026069
(2R)-2-(2,4-dichlorophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7858558
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-(2,4-dichlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1080658
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
2-(2,4-dichlorophenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 18864577
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
CID 39024155
(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 2204293
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide (CID 55583774) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide is Cc1nc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is GWKSZKAWQNOELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S2/c1-7-14(24-6-12(18)21)25-15(19-7)20-13(22)8(2)23-11-4-3-9(16)5-10(11)17/h3-5,8H,6H2,1-2H3,(H2,18,21)(H,19,20,22).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 420.34 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 55583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).