8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile

C10H4N4OS — CID 136726272

IUPAC8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile
SMILESN#Cc1nc2cc3c(=O)[nH]cnc3cc2s1
InChIInChI=1S/C10H4N4OS/c11-3-9-14-7-1-5-6(2-8(7)16-9)12-4-13-10(5)15/h1-2,4H,(H,12,13,15)
InChIKeyWTPDZEYDRNXCAA-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.40
Rot. Bonds

About 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile

8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile (PubChem CID 136726272) has the molecular formula C10H4N4OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile.

Molecular Properties

Compound Name8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile
PubChem CID136726272
Molecular FormulaC10H4N4OS
Molecular Weight228.24 g/mol
Exact Mass228.01
IUPAC Name8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile
SMILESN#Cc1nc2cc3c(=O)[nH]cnc3cc2s1
InChIInChI=1S/C10H4N4OS/c11-3-9-14-7-1-5-6(2-8(7)16-9)12-4-13-10(5)15/h1-2,4H,(H,12,13,15)
InChIKeyWTPDZEYDRNXCAA-UHFFFAOYSA-N
XLogP1.40
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile?
The IUPAC name of 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile (CID 136726272) is 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile.
What is the SMILES notation for 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile?
The canonical SMILES for 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile is N#Cc1nc2cc3c(=O)[nH]cnc3cc2s1.
What is the InChIKey of 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile?
The InChIKey is WTPDZEYDRNXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4OS/c11-3-9-14-7-1-5-6(2-8(7)16-9)12-4-13-10(5)15/h1-2,4H,(H,12,13,15).
What are the key properties of 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile?
8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile has a molecular weight of 228.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-7H-[1,3]thiazolo[4,5-g]quinazoline-2-carbonitrile is sourced from PubChem (CID 136726272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).