5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

C14H18N2S — CID 64707265

IUPAC5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccccc1C(C)c1sc(N)nc1C
InChIInChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)16-14(15)17-13/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyYQHWYOMBQIMPND-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.75
Rot. Bonds3

About 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 64707265) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID64707265
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccccc1C(C)c1sc(N)nc1C
InChIInChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)16-14(15)17-13/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyYQHWYOMBQIMPND-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 64707265) is 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is CCc1ccccc1C(C)c1sc(N)nc1C.
What is the InChIKey of 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YQHWYOMBQIMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)16-14(15)17-13/h5-9H,4H2,1-3H3,(H2,15,16).
What are the key properties of 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64707265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).