5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine

C14H19N3S — CID 55113901

IUPAC5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(C(C)N)s1
InChIInChI=1S/C14H19N3S/c1-3-17(10-12-7-5-4-6-8-12)14-16-9-13(18-14)11(2)15/h4-9,11H,3,10,15H2,1-2H3
InChIKeyNBRBVDDGQUBJOJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.19
Rot. Bonds5

About 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine (PubChem CID 55113901) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
PubChem CID55113901
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1ncc(C(C)N)s1
InChIInChI=1S/C14H19N3S/c1-3-17(10-12-7-5-4-6-8-12)14-16-9-13(18-14)11(2)15/h4-9,11H,3,10,15H2,1-2H3
InChIKeyNBRBVDDGQUBJOJ-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
CID 130569182
5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750532
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62752052
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
5-(2-aminopropyl)-N-benzyl-N-ethylpyridin-2-amine
CID 80633726
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
5-(1-aminoethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62751359
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine (CID 55113901) is 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine is CCN(Cc1ccccc1)c1ncc(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is NBRBVDDGQUBJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-17(10-12-7-5-4-6-8-12)14-16-9-13(18-14)11(2)15/h4-9,11H,3,10,15H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55113901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).