2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde

C12H9N3OS — CID 59497158

IUPAC2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde
SMILESNc1nc2ccccc2c2sc(CC=O)nc12
InChIInChI=1S/C12H9N3OS/c13-12-10-11(17-9(15-10)5-6-16)7-3-1-2-4-8(7)14-12/h1-4,6H,5H2,(H2,13,14)
InChIKeyVGABGOWXFJNSPX-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde

2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde (PubChem CID 59497158) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde
PubChem CID59497158
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde
SMILESNc1nc2ccccc2c2sc(CC=O)nc12
InChIInChI=1S/C12H9N3OS/c13-12-10-11(17-9(15-10)5-6-16)7-3-1-2-4-8(7)14-12/h1-4,6H,5H2,(H2,13,14)
InChIKeyVGABGOWXFJNSPX-UHFFFAOYSA-N
XLogP2.17
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde?
The IUPAC name of 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde (CID 59497158) is 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde?
The canonical SMILES for 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde is Nc1nc2ccccc2c2sc(CC=O)nc12.
What is the InChIKey of 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde?
The InChIKey is VGABGOWXFJNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12-10-11(17-9(15-10)5-6-16)7-3-1-2-4-8(7)14-12/h1-4,6H,5H2,(H2,13,14).
What are the key properties of 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde?
2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde is sourced from PubChem (CID 59497158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).