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

C19H17N5OS — CID 24970495

IUPACN'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCCn1cnc2ccc3nc(/C(N)=N/Cc4ccccc4)sc3c2c1=O
InChIInChI=1S/C19H17N5OS/c1-2-24-11-22-13-8-9-14-16(15(13)19(24)25)26-18(23-14)17(20)21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21)
InChIKeyMLIBAHHZYPGWGI-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.93
Rot. Bonds4

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

N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (PubChem CID 24970495) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
PubChem CID24970495
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCCn1cnc2ccc3nc(/C(N)=N/Cc4ccccc4)sc3c2c1=O
InChIInChI=1S/C19H17N5OS/c1-2-24-11-22-13-8-9-14-16(15(13)19(24)25)26-18(23-14)17(20)21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21)
InChIKeyMLIBAHHZYPGWGI-UHFFFAOYSA-N
XLogP2.93
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The IUPAC name of N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (CID 24970495) is N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.
What is the SMILES notation for N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The canonical SMILES for N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is CCn1cnc2ccc3nc(/C(N)=N/Cc4ccccc4)sc3c2c1=O.
What is the InChIKey of N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The InChIKey is MLIBAHHZYPGWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-24-11-22-13-8-9-14-16(15(13)19(24)25)26-18(23-14)17(20)21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21).
What are the key properties of N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide has a molecular weight of 363.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is sourced from PubChem (CID 24970495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).