5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine

C13H16N2S — CID 116812054

IUPAC5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C13H16N2S/c1-4-14-13-15-8-12(16-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyPWDLYQRHORLXHJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.86
Rot. Bonds3

About 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine

5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 116812054) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID116812054
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C13H16N2S/c1-4-14-13-15-8-12(16-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyPWDLYQRHORLXHJ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine (CID 116812054) is 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(-c2cc(C)ccc2C)s1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is PWDLYQRHORLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-4-14-13-15-8-12(16-13)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine?
5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).