4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C12H14N2S — CID 612716

IUPAC4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C12H14N2S/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3,(H2,13,14)
InChIKeyQKYORNXSXAOYPV-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.32
Rot. Bonds1

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

4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 612716) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID612716
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C12H14N2S/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3,(H2,13,14)
InChIKeyQKYORNXSXAOYPV-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 612716) is 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(-c2csc(N)n2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QKYORNXSXAOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 612716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).