4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine

C14H20N2S — CID 64551922

IUPAC4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCc1ccccc1NC1=NC(C)(CC)CS1
InChIInChI=1S/C14H20N2S/c1-4-11-8-6-7-9-12(11)15-13-16-14(3,5-2)10-17-13/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyKCFNNSFREDPVBW-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.93
Rot. Bonds3

About 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine

4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64551922) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64551922
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCc1ccccc1NC1=NC(C)(CC)CS1
InChIInChI=1S/C14H20N2S/c1-4-11-8-6-7-9-12(11)15-13-16-14(3,5-2)10-17-13/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyKCFNNSFREDPVBW-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine (CID 64551922) is 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine is CCc1ccccc1NC1=NC(C)(CC)CS1.
What is the InChIKey of 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is KCFNNSFREDPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-11-8-6-7-9-12(11)15-13-16-14(3,5-2)10-17-13/h6-9H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine?
4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64551922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).