2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H21N3O3S2 — CID 42951214

IUPAC2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-4-24-16-7-5-14(6-8-16)19-20-15(11-27-19)10-26-13(3)18(23)21-17-9-12(2)25-22-17/h5-9,11,13H,4,10H2,1-3H3,(H,21,22,23)
InChIKeyJQSXKUYSVQQHII-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.77
Rot. Bonds8

About 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42951214) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID42951214
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-4-24-16-7-5-14(6-8-16)19-20-15(11-27-19)10-26-13(3)18(23)21-17-9-12(2)25-22-17/h5-9,11,13H,4,10H2,1-3H3,(H,21,22,23)
InChIKeyJQSXKUYSVQQHII-UHFFFAOYSA-N
XLogP4.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)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

2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47023536
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
CID 42951212
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8996075
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8996072
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
(2S)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 27284466
N-(2-fluorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581005
N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581137
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42951214) is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCOc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JQSXKUYSVQQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-4-24-16-7-5-14(6-8-16)19-20-15(11-27-19)10-26-13(3)18(23)21-17-9-12(2)25-22-17/h5-9,11,13H,4,10H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 403.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42951214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).