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

C14H20N2O3S — CID 43439713

IUPAC4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cc(OC)c(OC)c(OC)c2)=N1
InChIInChI=1S/C14H20N2O3S/c1-5-9-8-20-14(15-9)16-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyMBZBZXWCVFMUPA-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.01
Rot. Bonds5

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

4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439713) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439713
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cc(OC)c(OC)c(OC)c2)=N1
InChIInChI=1S/C14H20N2O3S/c1-5-9-8-20-14(15-9)16-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyMBZBZXWCVFMUPA-UHFFFAOYSA-N
XLogP3.01
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43439713) is 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2cc(OC)c(OC)c(OC)c2)=N1.
What is the InChIKey of 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MBZBZXWCVFMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-9-8-20-14(15-9)16-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).