[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine

C12H14N2S — CID 105473205

IUPAC[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESCCc1scnc1-c1ccccc1CN
InChIInChI=1S/C12H14N2S/c1-2-11-12(14-8-15-11)10-6-4-3-5-9(10)7-13/h3-6,8H,2,7,13H2,1H3
InChIKeyJTPTZPRMWLJIMZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.83
Rot. Bonds3

About [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine

[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 105473205) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID105473205
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESCCc1scnc1-c1ccccc1CN
InChIInChI=1S/C12H14N2S/c1-2-11-12(14-8-15-11)10-6-4-3-5-9(10)7-13/h3-6,8H,2,7,13H2,1H3
InChIKeyJTPTZPRMWLJIMZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 52983593
ethane;(2-phenylphenyl)methanamine
CID 142592948
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
CID 18357457
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
3-(2-ethylphenyl)-N-methylpyrazin-2-amine
CID 112559190
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
[2-(2-fluoro-4-pyridinyl)phenyl]methanamine
CID 71114270
2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
CID 105473203
2-[2-(5-ethyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105470054

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine (CID 105473205) is [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine is CCc1scnc1-c1ccccc1CN.
What is the InChIKey of [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is JTPTZPRMWLJIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-11-12(14-8-15-11)10-6-4-3-5-9(10)7-13/h3-6,8H,2,7,13H2,1H3.
What are the key properties of [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine?
[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 105473205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).