5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine

C14H19N3S — CID 62750532

IUPAC5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2ncc(C(C)N)s2)cc1
InChIInChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-9-13(18-14)10(2)15/h5-10H,4,15H2,1-3H3
InChIKeyOQIQPKJLEBUNDL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds4

About 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62750532) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62750532
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(N(C)c2ncc(C(C)N)s2)cc1
InChIInChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-9-13(18-14)10(2)15/h5-10H,4,15H2,1-3H3
InChIKeyOQIQPKJLEBUNDL-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864
5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62752052
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113709
4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544768
methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 80571148
5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010
5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
CID 55113901
5-(1-aminoethyl)-N-butyl-N-methyl-1,3-thiazol-2-amine
CID 62750832
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55111876
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
5-(1-aminoethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62751359
5-(aminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769107

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62750532) is 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1ccc(N(C)c2ncc(C(C)N)s2)cc1.
What is the InChIKey of 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OQIQPKJLEBUNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-11-5-7-12(8-6-11)17(3)14-16-9-13(18-14)10(2)15/h5-10H,4,15H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62750532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).