5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid

C14H12N2O3S — CID 15569310

IUPAC5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc3sc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C14H12N2O3S/c1-7(2)8-3-4-10-9(5-8)12(17)16-6-11(13(18)19)20-14(16)15-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBQIQBUDLNNGGLZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.73
Rot. Bonds2

About 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid

5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid (PubChem CID 15569310) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid
PubChem CID15569310
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc3sc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C14H12N2O3S/c1-7(2)8-3-4-10-9(5-8)12(17)16-6-11(13(18)19)20-14(16)15-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBQIQBUDLNNGGLZ-UHFFFAOYSA-N
XLogP2.73
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid?
The IUPAC name of 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid (CID 15569310) is 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid is CC(C)c1ccc2nc3sc(C(=O)O)cn3c(=O)c2c1.
What is the InChIKey of 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid?
The InChIKey is BQIQBUDLNNGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-7(2)8-3-4-10-9(5-8)12(17)16-6-11(13(18)19)20-14(16)15-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid?
5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-propan-2-yl-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 15569310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).