2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

C17H24N4O2S — CID 120641621

IUPAC2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C17H24N4O2S/c1-21(2)9-10-23-14-5-3-13(4-6-14)11-19-17(22)15-12-24-16(20-15)7-8-18/h3-6,12H,7-11,18H2,1-2H3,(H,19,22)
InChIKeyCNXJJUQPFVAGQK-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.51
Rot. Bonds9

About 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120641621) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120641621
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C17H24N4O2S/c1-21(2)9-10-23-14-5-3-13(4-6-14)11-19-17(22)15-12-24-16(20-15)7-8-18/h3-6,12H,7-11,18H2,1-2H3,(H,19,22)
InChIKeyCNXJJUQPFVAGQK-UHFFFAOYSA-N
XLogP1.51
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120646535
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
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-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
2-(2-aminoethyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 120641621) is 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is CN(C)CCOc1ccc(CNC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CNXJJUQPFVAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-21(2)9-10-23-14-5-3-13(4-6-14)11-19-17(22)15-12-24-16(20-15)7-8-18/h3-6,12H,7-11,18H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120641621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).