5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2S — CID 4198772

IUPAC5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2cccc(C)c2)S1
InChIInChI=1S/C12H16N2S/c1-3-11-8-13-12(15-11)14-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyHVKYOXRWZLVCBN-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.29
Rot. Bonds2

About 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 4198772) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID4198772
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(Nc2cccc(C)c2)S1
InChIInChI=1S/C12H16N2S/c1-3-11-8-13-12(15-11)14-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyHVKYOXRWZLVCBN-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 4198772) is 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(Nc2cccc(C)c2)S1.
What is the InChIKey of 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HVKYOXRWZLVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-11-8-13-12(15-11)14-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 4198772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).