N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine

C12H14N2S — CID 89033252

IUPACN-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-3-10-4-6-11(7-5-10)14-12-13-9(2)8-15-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyVRWFVQDTPBEYHU-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.76
Rot. Bonds3

About N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine

N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 89033252) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID89033252
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC NameN-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H14N2S/c1-3-10-4-6-11(7-5-10)14-12-13-9(2)8-15-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyVRWFVQDTPBEYHU-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine (CID 89033252) is N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine is CCc1ccc(Nc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VRWFVQDTPBEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-10-4-6-11(7-5-10)14-12-13-9(2)8-15-12/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine?
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 89033252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).