2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C16H21N3O3S — CID 120618211

IUPAC2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C16H21N3O3S/c1-19(16(20)14-11-23-15(18-14)7-8-17)9-10-22-13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,17H2,1-2H3
InChIKeyNPOAHZZIDPUDEE-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.80
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 120618211) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID120618211
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C16H21N3O3S/c1-19(16(20)14-11-23-15(18-14)7-8-17)9-10-22-13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,17H2,1-2H3
InChIKeyNPOAHZZIDPUDEE-UHFFFAOYSA-N
XLogP1.80
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626193
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-(2-aminoethyl)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618974
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621
2-(2-aminoethyl)-N-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-4-carboxamide
CID 120646541
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
CID 116585478
2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 120618211) is 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(OCCN(C)C(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NPOAHZZIDPUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(16(20)14-11-23-15(18-14)7-8-17)9-10-22-13-5-3-12(21-2)4-6-13/h3-6,11H,7-10,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120618211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).