3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol

C18H18N2O3S2 — CID 103597559

IUPAC3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCCSc1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1
InChIInChI=1S/C18H18N2O3S2/c1-4-24-15-9-11(7-8-19-15)18-20-13(10-25-18)12-5-6-14(22-2)16(21)17(12)23-3/h5-10,21H,4H2,1-3H3
InChIKeyMLGNESILZMIKOA-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.71
Rot. Bonds6

About 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol

3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (PubChem CID 103597559) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
PubChem CID103597559
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
SMILESCCSc1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1
InChIInChI=1S/C18H18N2O3S2/c1-4-24-15-9-11(7-8-19-15)18-20-13(10-25-18)12-5-6-14(22-2)16(21)17(12)23-3/h5-10,21H,4H2,1-3H3
InChIKeyMLGNESILZMIKOA-UHFFFAOYSA-N
XLogP4.71
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The IUPAC name of 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol (CID 103597559) is 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is CCSc1cc(-c2nc(-c3ccc(OC)c(O)c3OC)cs2)ccn1.
What is the InChIKey of 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
The InChIKey is MLGNESILZMIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-4-24-15-9-11(7-8-19-15)18-20-13(10-25-18)12-5-6-14(22-2)16(21)17(12)23-3/h5-10,21H,4H2,1-3H3.
What are the key properties of 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol?
3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol has a molecular weight of 374.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 103597559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).