N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

C14H18N2S — CID 54978094

IUPACN-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccs1)c1cc(C)ccc1C
InChIInChI=1S/C14H18N2S/c1-4-15-13(14-16-7-8-17-14)12-9-10(2)5-6-11(12)3/h5-9,13,15H,4H2,1-3H3
InChIKeyDIEWMHANEGBJIX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.46
Rot. Bonds4

About N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 54978094) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID54978094
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccs1)c1cc(C)ccc1C
InChIInChI=1S/C14H18N2S/c1-4-15-13(14-16-7-8-17-14)12-9-10(2)5-6-11(12)3/h5-9,13,15H,4H2,1-3H3
InChIKeyDIEWMHANEGBJIX-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61346977
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(2,5-dibromothiophen-3-yl)-(2,5-dimethylphenyl)methyl]ethanamine
CID 43493204
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 83230059
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 54978094) is N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nccs1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is DIEWMHANEGBJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-15-13(14-16-7-8-17-14)12-9-10(2)5-6-11(12)3/h5-9,13,15H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).