5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

C14H19N3S — CID 62752052

IUPAC5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1ccc(C)cc1)c1ncc(C(C)N)s1
InChIInChI=1S/C14H19N3S/c1-4-17(12-7-5-10(2)6-8-12)14-16-9-13(18-14)11(3)15/h5-9,11H,4,15H2,1-3H3
InChIKeyXZIIRHCYTNJJQV-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.63
Rot. Bonds4

About 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 62752052) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID62752052
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCN(c1ccc(C)cc1)c1ncc(C(C)N)s1
InChIInChI=1S/C14H19N3S/c1-4-17(12-7-5-10(2)6-8-12)14-16-9-13(18-14)11(3)15/h5-9,11H,4,15H2,1-3H3
InChIKeyXZIIRHCYTNJJQV-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 62752052) is 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is CCN(c1ccc(C)cc1)c1ncc(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is XZIIRHCYTNJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-17(12-7-5-10(2)6-8-12)14-16-9-13(18-14)11(3)15/h5-9,11H,4,15H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.63, 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-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).