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

C16H18N4O2S — CID 24970437

IUPACpropan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC(C)C)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3/b17-14-
InChIKeyXPTBENXBQDKVHB-VKAVYKQESA-N
MW330.41 g/mol
LogP3.34
Rot. Bonds3

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

propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 24970437) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namepropan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID24970437
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Namepropan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC(C)C)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
InChIInChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3/b17-14-
InChIKeyXPTBENXBQDKVHB-VKAVYKQESA-N
XLogP3.34
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.34
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 propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 24970437) is propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC(C)C)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1.
What is the InChIKey of propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is XPTBENXBQDKVHB-VKAVYKQESA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3/b17-14-.
What are the key properties of propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 330.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 24970437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).