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

C19H20N2O4S — CID 122183262

IUPAC4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-22-13-7-5-11(6-8-13)16-18(26-19(20)21-16)12-9-14(23-2)17(25-4)15(10-12)24-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyIXWZTRQOXYICGJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.09
Rot. Bonds6

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

4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 122183262) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID122183262
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-22-13-7-5-11(6-8-13)16-18(26-19(20)21-16)12-9-14(23-2)17(25-4)15(10-12)24-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyIXWZTRQOXYICGJ-UHFFFAOYSA-N
XLogP4.09
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 122183262) is 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is IXWZTRQOXYICGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-22-13-7-5-11(6-8-13)16-18(26-19(20)21-16)12-9-14(23-2)17(25-4)15(10-12)24-3/h5-10H,1-4H3,(H2,20,21).
What are the key properties of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 372.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122183262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).