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

C22H24N2O3S2 — CID 42951212

IUPAC2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
SMILESCCOc1ccc(-c2nc(CSC(C)C(=O)Nc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-4-27-20-9-5-16(6-10-20)22-24-18(14-29-22)13-28-15(2)21(25)23-17-7-11-19(26-3)12-8-17/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)
InChIKeyCHPBMNVTCSRQRO-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.48
Rot. Bonds9

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

2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 42951212) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
PubChem CID42951212
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
SMILESCCOc1ccc(-c2nc(CSC(C)C(=O)Nc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-4-27-20-9-5-16(6-10-20)22-24-18(14-29-22)13-28-15(2)21(25)23-17-7-11-19(26-3)12-8-17/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)
InChIKeyCHPBMNVTCSRQRO-UHFFFAOYSA-N
XLogP5.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307368
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47023536
N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55569744
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 60542126
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide (CID 42951212) is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide is CCOc1ccc(-c2nc(CSC(C)C(=O)Nc3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is CHPBMNVTCSRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-4-27-20-9-5-16(6-10-20)22-24-18(14-29-22)13-28-15(2)21(25)23-17-7-11-19(26-3)12-8-17/h5-12,14-15H,4,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide?
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 428.58 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42951212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).