N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C23H27N3O2S — CID 78817692

IUPACN-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)Cc2cccc(OC)c2)cs1
InChIInChI=1S/C23H27N3O2S/c1-5-19-10-6-7-12-22(19)26(17(2)27)23-24-20(16-29-23)15-25(3)14-18-9-8-11-21(13-18)28-4/h6-13,16H,5,14-15H2,1-4H3
InChIKeyLYEODLUAMUCQGJ-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.03
Rot. Bonds8

About N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78817692) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78817692
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)Cc2cccc(OC)c2)cs1
InChIInChI=1S/C23H27N3O2S/c1-5-19-10-6-7-12-22(19)26(17(2)27)23-24-20(16-29-23)15-25(3)14-18-9-8-11-21(13-18)28-4/h6-13,16H,5,14-15H2,1-4H3
InChIKeyLYEODLUAMUCQGJ-UHFFFAOYSA-N
XLogP5.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
2-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8780612
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
N-[4-[(4-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24670849
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78817692) is N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(C)Cc2cccc(OC)c2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LYEODLUAMUCQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-19-10-6-7-12-22(19)26(17(2)27)23-24-20(16-29-23)15-25(3)14-18-9-8-11-21(13-18)28-4/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78817692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).