2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 66376486

IUPAC2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-13(11)20-8-7-18(2)15(19)12-10-21-14(9-16)17-12/h3-6,10H,7-9,16H2,1-2H3
InChIKeyFAEQZTIYTWVFBK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.06
Rot. Bonds6

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

2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 66376486) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID66376486
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-13(11)20-8-7-18(2)15(19)12-10-21-14(9-16)17-12/h3-6,10H,7-9,16H2,1-2H3
InChIKeyFAEQZTIYTWVFBK-UHFFFAOYSA-N
XLogP2.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618974
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46536356
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 79858892
2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 50951203
methyl 4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-methylamino]butanoate
CID 66377077

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (CID 66376486) is 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FAEQZTIYTWVFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-3-4-6-13(11)20-8-7-18(2)15(19)12-10-21-14(9-16)17-12/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).