4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C20H22N2O4S — CID 118737480

IUPAC4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-5-26-14-8-6-12(7-9-14)17-19(27-20(21)22-17)13-10-15(23-2)18(25-4)16(11-13)24-3/h6-11H,5H2,1-4H3,(H2,21,22)
InChIKeyCRPRTDCUQNTZEK-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.48
Rot. Bonds7

About 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 118737480) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID118737480
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-5-26-14-8-6-12(7-9-14)17-19(27-20(21)22-17)13-10-15(23-2)18(25-4)16(11-13)24-3/h6-11H,5H2,1-4H3,(H2,21,22)
InChIKeyCRPRTDCUQNTZEK-UHFFFAOYSA-N
XLogP4.48
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 118737480) is 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is CRPRTDCUQNTZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-5-26-14-8-6-12(7-9-14)17-19(27-20(21)22-17)13-10-15(23-2)18(25-4)16(11-13)24-3/h6-11H,5H2,1-4H3,(H2,21,22).
What are the key properties of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 386.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118737480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).