4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol

C20H23NO3S — CID 2784706

IUPAC4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol
SMILESCCOC(OCC)C1(O)N=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C20H23NO3S/c1-3-23-19(24-4-2)20(22)17(15-11-7-5-8-12-15)25-18(21-20)16-13-9-6-10-14-16/h5-14,17,19,22H,3-4H2,1-2H3
InChIKeyNFYCTKDQLNFOMN-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.01
Rot. Bonds7

About 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol

4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol (PubChem CID 2784706) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol
PubChem CID2784706
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol
SMILESCCOC(OCC)C1(O)N=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C20H23NO3S/c1-3-23-19(24-4-2)20(22)17(15-11-7-5-8-12-15)25-18(21-20)16-13-9-6-10-14-16/h5-14,17,19,22H,3-4H2,1-2H3
InChIKeyNFYCTKDQLNFOMN-UHFFFAOYSA-N
XLogP4.01
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol?
The IUPAC name of 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol (CID 2784706) is 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol.
What is the SMILES notation for 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol?
The canonical SMILES for 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol is CCOC(OCC)C1(O)N=C(c2ccccc2)SC1c1ccccc1.
What is the InChIKey of 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol?
The InChIKey is NFYCTKDQLNFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-3-23-19(24-4-2)20(22)17(15-11-7-5-8-12-15)25-18(21-20)16-13-9-6-10-14-16/h5-14,17,19,22H,3-4H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol?
4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol has a molecular weight of 357.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-2,5-diphenyl-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 2784706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).