(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium

C23H28N3O2S+ — CID 8798994

IUPAC(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
SMILESCCOc1ccc(C[NH+](C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H27N3O2S/c1-4-28-21-11-7-18(8-12-21)14-26(3)15-20-16-29-23(25-20)13-22(27)24-19-9-5-17(2)6-10-19/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)/p+1
InChIKeyRLHQQNMPVMWIPH-UHFFFAOYSA-O
MW410.56 g/mol
LogP3.25
Rot. Bonds9

About (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium

(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium (PubChem CID 8798994) has the molecular formula C23H28N3O2S+ and a molecular weight of 410.56 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
PubChem CID8798994
Molecular FormulaC23H28N3O2S+
Molecular Weight410.56 g/mol
Exact Mass410.19
IUPAC Name(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
SMILESCCOc1ccc(C[NH+](C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H27N3O2S/c1-4-28-21-11-7-18(8-12-21)14-26(3)15-20-16-29-23(25-20)13-22(27)24-19-9-5-17(2)6-10-19/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)/p+1
InChIKeyRLHQQNMPVMWIPH-UHFFFAOYSA-O
XLogP3.25
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium with MolForge

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Related Compounds

2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
(5-chlorothiophen-2-yl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
CID 9037935
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
ethyl 2-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]acetate
CID 99145716
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
ethyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906650
(4-bromophenyl)methyl-[2-(4-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9040303
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium?
The IUPAC name of (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium (CID 8798994) is (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium is CCOc1ccc(C[NH+](C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium?
The InChIKey is RLHQQNMPVMWIPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O2S/c1-4-28-21-11-7-18(8-12-21)14-26(3)15-20-16-29-23(25-20)13-22(27)24-19-9-5-17(2)6-10-19/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium?
(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium has a molecular weight of 410.56 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium is sourced from PubChem (CID 8798994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).