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'}

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

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

Launch Full Analysis

Related Compounds

2-phenylmethoxy-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 67393108
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551050
4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
CID 71551696
2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
CID 59007714
[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
CID 68668474
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
CID 71256499
2-(aminomethyl)-7-(2H-pyrrol-3-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 161370348
[4-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
CID 68668475
2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
CID 87350562
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 71551819
4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
CID 71551048

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).