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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Related Compounds

4-(2-chlorophenyl)-2,5-dimethyl-1,3-thiazole
CID 18342389
2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
CID 115022622
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868773
2-[2-(5-ethyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105470054
2-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanamine
CID 114352052
4-(2-chlorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082381
4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-fluorophenyl)methyl]aniline
CID 90393761
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2-pyridin-2-ylphenyl)ethanamine
CID 22356817
2-(5-amino-2-methyl-1,3-thiazol-4-yl)phenol
CID 84779153
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
2-[4-[2-(2-aminoethyl)phenyl]phenyl]ethanamine
CID 122383957

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).