2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C15H19N3O3S — CID 120619873

IUPAC2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-11-3-4-13(21-2)10(7-11)8-17-15(19)12-9-22-14(18-12)5-6-16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyWTPYNDSZHUVMKH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.59
Rot. Bonds7

About 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120619873) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120619873
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C15H19N3O3S/c1-20-11-3-4-13(21-2)10(7-11)8-17-15(19)12-9-22-14(18-12)5-6-16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyWTPYNDSZHUVMKH-UHFFFAOYSA-N
XLogP1.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(aminomethyl)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816333
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811
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-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
2-(2-aminoethyl)-N-[3-(3-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120635005
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631147

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 120619873) is 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2csc(CCN)n2)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WTPYNDSZHUVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-11-3-4-13(21-2)10(7-11)8-17-15(19)12-9-22-14(18-12)5-6-16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120619873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).