4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol

C19H20N2O3S — CID 1299402

IUPAC4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(CCNc2nc(-c3ccc(O)cc3)cs2)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-23-17-8-3-13(11-18(17)24-2)9-10-20-19-21-16(12-25-19)14-4-6-15(22)7-5-14/h3-8,11-12,22H,9-10H2,1-2H3,(H,20,21)
InChIKeyWZTFEFMIYFVZAC-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.19
Rot. Bonds7

About 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol

4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol (PubChem CID 1299402) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol
PubChem CID1299402
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(CCNc2nc(-c3ccc(O)cc3)cs2)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-23-17-8-3-13(11-18(17)24-2)9-10-20-19-21-16(12-25-19)14-4-6-15(22)7-5-14/h3-8,11-12,22H,9-10H2,1-2H3,(H,20,21)
InChIKeyWZTFEFMIYFVZAC-UHFFFAOYSA-N
XLogP4.19
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol (CID 1299402) is 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol is COc1ccc(CCNc2nc(-c3ccc(O)cc3)cs2)cc1OC.
What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol?
The InChIKey is WZTFEFMIYFVZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-17-8-3-13(11-18(17)24-2)9-10-20-19-21-16(12-25-19)14-4-6-15(22)7-5-14/h3-8,11-12,22H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol?
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol has a molecular weight of 356.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 1299402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).