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

C19H21N3O4S2 — CID 47023536

IUPAC2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1OC
InChIInChI=1S/C19H21N3O4S2/c1-11-7-17(22-26-11)21-18(23)12(2)27-9-14-10-28-19(20-14)13-5-6-15(24-3)16(8-13)25-4/h5-8,10,12H,9H2,1-4H3,(H,21,22,23)
InChIKeyUACGAOUNTRHVKO-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.38
Rot. Bonds8

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

2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 47023536) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID47023536
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1OC
InChIInChI=1S/C19H21N3O4S2/c1-11-7-17(22-26-11)21-18(23)12(2)27-9-14-10-28-19(20-14)13-5-6-15(24-3)16(8-13)25-4/h5-8,10,12H,9H2,1-4H3,(H,21,22,23)
InChIKeyUACGAOUNTRHVKO-UHFFFAOYSA-N
XLogP4.38
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42951214
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 60542126
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 86931322
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
CID 42951212
(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
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55569744

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 47023536) is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(-c2nc(CSC(C)C(=O)Nc3cc(C)on3)cs2)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is UACGAOUNTRHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-11-7-17(22-26-11)21-18(23)12(2)27-9-14-10-28-19(20-14)13-5-6-15(24-3)16(8-13)25-4/h5-8,10,12H,9H2,1-4H3,(H,21,22,23).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 47023536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).