1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C15H20N2S — CID 54913361

IUPAC1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C)c(C(C)NCc2nc(C)cs2)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(2)14(7-10)13(4)16-8-15-17-12(3)9-18-15/h5-7,9,13,16H,8H2,1-4H3
InChIKeyMYYJNRVFQCEKNB-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.92
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 54913361) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID54913361
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C)c(C(C)NCc2nc(C)cs2)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-11(2)14(7-10)13(4)16-8-15-17-12(3)9-18-15/h5-7,9,13,16H,8H2,1-4H3
InChIKeyMYYJNRVFQCEKNB-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
1-(2,5-dimethylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393492
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 54913361) is 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1ccc(C)c(C(C)NCc2nc(C)cs2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is MYYJNRVFQCEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-11(2)14(7-10)13(4)16-8-15-17-12(3)9-18-15/h5-7,9,13,16H,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54913361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).