[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine

C14H18N2S — CID 82054609

IUPAC[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1ccc(Cc2sc(CN)nc2C)cc1
InChIInChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)8-13-10(2)16-14(9-15)17-13/h4-7H,3,8-9,15H2,1-2H3
InChIKeyQIPOTZKFFLDZBP-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.06
Rot. Bonds4

About [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine

[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 82054609) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID82054609
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1ccc(Cc2sc(CN)nc2C)cc1
InChIInChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)8-13-10(2)16-14(9-15)17-13/h4-7H,3,8-9,15H2,1-2H3
InChIKeyQIPOTZKFFLDZBP-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970145
[4-methyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 83970171
5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054603
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 83679321
propan-2-yl 3-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970180
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970097
5-(aminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769107
5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43431842
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (CID 82054609) is [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is CCc1ccc(Cc2sc(CN)nc2C)cc1.
What is the InChIKey of [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is QIPOTZKFFLDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11-4-6-12(7-5-11)8-13-10(2)16-14(9-15)17-13/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82054609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).