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

C15H20N2S — CID 82054706

IUPAC2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(C)cc(Cc2sc(CCN)nc2C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-11(2)8-13(7-10)9-14-12(3)17-15(18-14)4-5-16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyVOTOREMGJKBKIK-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.16
Rot. Bonds4

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

2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 82054706) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID82054706
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1cc(C)cc(Cc2sc(CCN)nc2C)c1
InChIInChI=1S/C15H20N2S/c1-10-6-11(2)8-13(7-10)9-14-12(3)17-15(18-14)4-5-16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyVOTOREMGJKBKIK-UHFFFAOYSA-N
XLogP3.16
TPSA38.91 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83970210
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
[4-methyl-2-[2-(2,3,5-trimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82426978
2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 16762381
2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 39106792
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine (CID 82054706) is 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine is Cc1cc(C)cc(Cc2sc(CCN)nc2C)c1.
What is the InChIKey of 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is VOTOREMGJKBKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-11(2)8-13(7-10)9-14-12(3)17-15(18-14)4-5-16/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82054706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).