4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine

C13H16N2S — CID 58442374

IUPAC4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-4-10-5-8(2)12(9(3)6-10)11-7-16-13(14)15-11/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyITCNPEHJIILNCX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.57
Rot. Bonds2

About 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine

4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 58442374) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID58442374
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C13H16N2S/c1-4-10-5-8(2)12(9(3)6-10)11-7-16-13(14)15-11/h5-7H,4H2,1-3H3,(H2,14,15)
InChIKeyITCNPEHJIILNCX-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine (CID 58442374) is 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine is CCc1cc(C)c(-c2csc(N)n2)c(C)c1.
What is the InChIKey of 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ITCNPEHJIILNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-4-10-5-8(2)12(9(3)6-10)11-7-16-13(14)15-11/h5-7H,4H2,1-3H3,(H2,14,15).
What are the key properties of 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine?
4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58442374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).