(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine

C12H14N2S — CID 78923574

IUPAC(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
SMILESCCc1ccc(C(N)c2cscn2)cc1
InChIInChI=1S/C12H14N2S/c1-2-9-3-5-10(6-4-9)12(13)11-7-15-8-14-11/h3-8,12H,2,13H2,1H3
InChIKeyDWPQRQIUDQGLOP-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.75
Rot. Bonds3

About (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine

(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 78923574) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
PubChem CID78923574
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
SMILESCCc1ccc(C(N)c2cscn2)cc1
InChIInChI=1S/C12H14N2S/c1-2-9-3-5-10(6-4-9)12(13)11-7-15-8-14-11/h3-8,12H,2,13H2,1H3
InChIKeyDWPQRQIUDQGLOP-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 91470452
(S)-(4-ethylphenyl)-thiophen-3-ylmethanamine
CID 171211233
[2-(4-propan-2-ylphenyl)-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254254
4-(4-ethylphenyl)-1,3-thiazole
CID 3919361
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S)-2-methyl-1-(1,3-thiazol-4-yl)propan-1-amine
CID 82416070
(4-ethylphenyl)-pyridazin-4-ylmethanamine
CID 105121539
chloro-(4-ethylphenyl)methanamine
CID 116947710
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62045490
(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine
CID 130815836

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine (CID 78923574) is (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine is CCc1ccc(C(N)c2cscn2)cc1.
What is the InChIKey of (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is DWPQRQIUDQGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-9-3-5-10(6-4-9)12(13)11-7-15-8-14-11/h3-8,12H,2,13H2,1H3.
What are the key properties of (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine?
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 78923574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).