4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C14H18N2S — CID 71561950

IUPAC4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Nc2nc(C)c(C)s2)c(C)c1
InChIInChI=1S/C14H18N2S/c1-8-6-9(2)13(10(3)7-8)16-14-15-11(4)12(5)17-14/h6-7H,1-5H3,(H,15,16)
InChIKeyFAVSSNSDMFVWEW-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.43
Rot. Bonds2

About 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 71561950) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID71561950
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Nc2nc(C)c(C)s2)c(C)c1
InChIInChI=1S/C14H18N2S/c1-8-6-9(2)13(10(3)7-8)16-14-15-11(4)12(5)17-14/h6-7H,1-5H3,(H,15,16)
InChIKeyFAVSSNSDMFVWEW-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 71561950) is 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(Nc2nc(C)c(C)s2)c(C)c1.
What is the InChIKey of 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FAVSSNSDMFVWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-8-6-9(2)13(10(3)7-8)16-14-15-11(4)12(5)17-14/h6-7H,1-5H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71561950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).