3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol

C19H20N2O3S — CID 4103058

IUPAC3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
SMILESCCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cccc(O)c1
InChIInChI=1S/C19H20N2O3S/c1-4-21-17(16-11-15(23-2)8-9-18(16)24-3)12-25-19(21)20-13-6-5-7-14(22)10-13/h5-12,22H,4H2,1-3H3/b20-19-
InChIKeyNPBNYNMMHRSKJA-VXPUYCOJSA-N
MW356.45 g/mol
LogP4.19
Rot. Bonds5

About 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol

3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol (PubChem CID 4103058) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol.

Molecular Properties

Compound Name3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
PubChem CID4103058
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
SMILESCCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cccc(O)c1
InChIInChI=1S/C19H20N2O3S/c1-4-21-17(16-11-15(23-2)8-9-18(16)24-3)12-25-19(21)20-13-6-5-7-14(22)10-13/h5-12,22H,4H2,1-3H3/b20-19-
InChIKeyNPBNYNMMHRSKJA-VXPUYCOJSA-N
XLogP4.19
TPSA55.98 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The IUPAC name of 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol (CID 4103058) is 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol.
What is the SMILES notation for 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The canonical SMILES for 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol is CCn1c(-c2cc(OC)ccc2OC)cs/c1=N\c1cccc(O)c1.
What is the InChIKey of 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The InChIKey is NPBNYNMMHRSKJA-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-21-17(16-11-15(23-2)8-9-18(16)24-3)12-25-19(21)20-13-6-5-7-14(22)10-13/h5-12,22H,4H2,1-3H3/b20-19-.
What are the key properties of 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol has a molecular weight of 356.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,5-dimethoxyphenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol is sourced from PubChem (CID 4103058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).