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

C14H18N2S — CID 62331691

IUPAC1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(Cc2nc(C)c(C(C)N)s2)cc1
InChIInChI=1S/C14H18N2S/c1-9-4-6-12(7-5-9)8-13-16-11(3)14(17-13)10(2)15/h4-7,10H,8,15H2,1-3H3
InChIKeyFZSXEXFHSRVATQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.37
Rot. Bonds3

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

1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62331691) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62331691
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(Cc2nc(C)c(C(C)N)s2)cc1
InChIInChI=1S/C14H18N2S/c1-9-4-6-12(7-5-9)8-13-16-11(3)14(17-13)10(2)15/h4-7,10H,8,15H2,1-3H3
InChIKeyFZSXEXFHSRVATQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65137339
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62551593
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55056781
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884791
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 62320903
1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
CID 115029662

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 62331691) is 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine is Cc1ccc(Cc2nc(C)c(C(C)N)s2)cc1.
What is the InChIKey of 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FZSXEXFHSRVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-4-6-12(7-5-9)8-13-16-11(3)14(17-13)10(2)15/h4-7,10H,8,15H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62331691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).