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

C19H16N4O2S — CID 24970436

IUPACbenzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1
InChIInChI=1S/C19H16N4O2S/c1-2-23-11-21-13-8-9-14-16(15(13)19(23)24)26-18(22-14)17(20)25-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3/b20-17-
InChIKeyWSUSQFQQODISNM-JZJYNLBNSA-N
MW364.43 g/mol
LogP3.57
Rot. Bonds4

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

benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 24970436) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namebenzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID24970436
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Namebenzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1
InChIInChI=1S/C19H16N4O2S/c1-2-23-11-21-13-8-9-14-16(15(13)19(23)24)26-18(22-14)17(20)25-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3/b20-17-
InChIKeyWSUSQFQQODISNM-JZJYNLBNSA-N
XLogP3.57
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.57
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 benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 24970436) is benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OCc1ccccc1)c1nc2ccc3ncn(CC)c(=O)c3c2s1.
What is the InChIKey of benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is WSUSQFQQODISNM-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-23-11-21-13-8-9-14-16(15(13)19(23)24)26-18(22-14)17(20)25-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3/b20-17-.
What are the key properties of benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 364.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 24970436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).