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

C19H20N2O3S — CID 53387889

IUPAC5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3S/c1-11-5-7-12(8-6-11)18-16(21-19(20)25-18)13-9-14(22-2)17(24-4)15(10-13)23-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyLOWCUEABOLQTAY-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.39
Rot. Bonds5

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

5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53387889) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53387889
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3S/c1-11-5-7-12(8-6-11)18-16(21-19(20)25-18)13-9-14(22-2)17(24-4)15(10-13)23-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyLOWCUEABOLQTAY-UHFFFAOYSA-N
XLogP4.39
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53387889) is 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2nc(N)sc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is LOWCUEABOLQTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-5-7-12(8-6-11)18-16(21-19(20)25-18)13-9-14(22-2)17(24-4)15(10-13)23-3/h5-10H,1-4H3,(H2,20,21).
What are the key properties of 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 356.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53387889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).