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

C13H16N2S — CID 64545487

IUPAC1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(Cc2nc(C(C)N)cs2)cc1
InChIInChI=1S/C13H16N2S/c1-9-3-5-11(6-4-9)7-13-15-12(8-16-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyFXJVAOLVLLILML-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.06
Rot. Bonds3

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

1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 64545487) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID64545487
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCc1ccc(Cc2nc(C(C)N)cs2)cc1
InChIInChI=1S/C13H16N2S/c1-9-3-5-11(6-4-9)7-13-15-12(8-16-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyFXJVAOLVLLILML-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 64545487) is 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is Cc1ccc(Cc2nc(C(C)N)cs2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FXJVAOLVLLILML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-3-5-11(6-4-9)7-13-15-12(8-16-13)10(2)14/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64545487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).