(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide

C17H22N4O2S — CID 9395546

IUPAC(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Oc1cccc(C)c1C)c1c(C)nsc1N
InChIInChI=1S/C17H22N4O2S/c1-9-7-6-8-14(10(9)2)23-13(5)17(22)20-19-11(3)15-12(4)21-24-16(15)18/h6-8,13H,18H2,1-5H3,(H,20,22)/b19-11-/t13-/m0/s1
InChIKeyGQXAZSJGOCUAPC-JFENUBAZSA-N
MW346.46 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 9395546) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID9395546
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Oc1cccc(C)c1C)c1c(C)nsc1N
InChIInChI=1S/C17H22N4O2S/c1-9-7-6-8-14(10(9)2)23-13(5)17(22)20-19-11(3)15-12(4)21-24-16(15)18/h6-8,13H,18H2,1-5H3,(H,20,22)/b19-11-/t13-/m0/s1
InChIKeyGQXAZSJGOCUAPC-JFENUBAZSA-N
XLogP2.96
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
CID 9088832
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414805

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide (CID 9395546) is (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide is C/C(=N/NC(=O)[C@H](C)Oc1cccc(C)c1C)c1c(C)nsc1N.
What is the InChIKey of (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is GQXAZSJGOCUAPC-JFENUBAZSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-9-7-6-8-14(10(9)2)23-13(5)17(22)20-19-11(3)15-12(4)21-24-16(15)18/h6-8,13H,18H2,1-5H3,(H,20,22)/b19-11-/t13-/m0/s1.
What are the key properties of (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 346.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 9395546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).