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

C15H16N4O2S — CID 24970432

IUPACethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3/b16-13-
InChIKeyBVEVXRDDVGYLHG-SSZFMOIBSA-N
MW316.39 g/mol
LogP2.95
Rot. Bonds3

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

ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 24970432) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Nameethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID24970432
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Nameethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3/b16-13-
InChIKeyBVEVXRDDVGYLHG-SSZFMOIBSA-N
XLogP2.95
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.95
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 ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 24970432) is ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OCC)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1.
What is the InChIKey of ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is BVEVXRDDVGYLHG-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3/b16-13-.
What are the key properties of ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 316.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 24970432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).