2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

C20H18N4O2S — CID 24970387

IUPAC2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1
InChIInChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3/b21-18-
InChIKeyPFWCEPWUHBDYJN-UZYVYHOESA-N
MW378.46 g/mol
LogP3.61
Rot. Bonds5

About 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 24970387) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Name2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID24970387
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1
InChIInChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3/b21-18-
InChIKeyPFWCEPWUHBDYJN-UZYVYHOESA-N
XLogP3.61
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 24970387) is 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OCCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1.
What is the InChIKey of 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is PFWCEPWUHBDYJN-UZYVYHOESA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3/b21-18-.
What are the key properties of 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 378.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 24970387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).