2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine

C13H16N2S — CID 105491880

IUPAC2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCc1nc(-c2ccccc2CCN)c(C)s1
InChIInChI=1S/C13H16N2S/c1-9-13(15-10(2)16-9)12-6-4-3-5-11(12)7-8-14/h3-6H,7-8,14H2,1-2H3
InChIKeyBOFKUOFCVRCZGL-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.93
Rot. Bonds3

About 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine

2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine (PubChem CID 105491880) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine
PubChem CID105491880
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCc1nc(-c2ccccc2CCN)c(C)s1
InChIInChI=1S/C13H16N2S/c1-9-13(15-10(2)16-9)12-6-4-3-5-11(12)7-8-14/h3-6H,7-8,14H2,1-2H3
InChIKeyBOFKUOFCVRCZGL-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine (CID 105491880) is 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine is Cc1nc(-c2ccccc2CCN)c(C)s1.
What is the InChIKey of 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The InChIKey is BOFKUOFCVRCZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-13(15-10(2)16-9)12-6-4-3-5-11(12)7-8-14/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine?
2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 105491880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).