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

C12H14N2S — CID 105473201

IUPAC2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCc1nc(-c2cccc(CCN)c2)cs1
InChIInChI=1S/C12H14N2S/c1-9-14-12(8-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyCVCROJNLVQLHPF-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.62
Rot. Bonds3

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

2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine (PubChem CID 105473201) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
PubChem CID105473201
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
SMILESCc1nc(-c2cccc(CCN)c2)cs1
InChIInChI=1S/C12H14N2S/c1-9-14-12(8-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyCVCROJNLVQLHPF-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
CID 10776459
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine (CID 105473201) is 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine is Cc1nc(-c2cccc(CCN)c2)cs1.
What is the InChIKey of 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine?
The InChIKey is CVCROJNLVQLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-14-12(8-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine?
2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine has a molecular weight of 218.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 105473201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).