3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine

C17H14N4S2 — CID 11313757

IUPAC3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
SMILESCSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1
InChIInChI=1S/C17H14N4S2/c1-22-17-21-15-14(19-11-6-4-5-10(18)9-11)12-7-2-3-8-13(12)20-16(15)23-17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyNVIRSWYJDAOKLA-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.89
Rot. Bonds3

About 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine

3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine (PubChem CID 11313757) has the molecular formula C17H14N4S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
PubChem CID11313757
Molecular FormulaC17H14N4S2
Molecular Weight338.46 g/mol
Exact Mass338.07
IUPAC Name3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
SMILESCSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1
InChIInChI=1S/C17H14N4S2/c1-22-17-21-15-14(19-11-6-4-5-10(18)9-11)12-7-2-3-8-13(12)20-16(15)23-17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyNVIRSWYJDAOKLA-UHFFFAOYSA-N
XLogP4.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine 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

3M-002
CID 10198719
2-Benzothiazol-2-yl-quinoline
CID 699802
2-(methylthio)-N-(3-(trifluoromethyl)phenyl)thiazolo[5,4-b]quinolin-9-amine
CID 44456350
2-(2-Quinolylthio)benzothiazole
CID 5066855
3-[(2-Methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)amino]benzonitrile
CID 11187144
2-Phenylthieno[2,3-b]quinoxaline
CID 11777489
N',N'-diethyl-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)propane-1,3-diamine
CID 44373928
N',N'-diethyl-N-(7-methyl-2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)propane-1,3-diamine
CID 44374154
N',N'-diethyl-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)ethane-1,2-diamine
CID 44456193
N-(4-chlorophenyl)-2-(methylthio)thiazolo[5,4-b]quinolin-9-amine
CID 44456311
9-[[(3-N-methylamino)phenyl]amino]-2-(methylthio)-thiazolo[5,4-b]quinoline
CID 44456314
N-(3-chlorophenyl)-2-(methylthio)thiazolo[5,4-b]quinolin-9-amine
CID 44456381

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine (CID 11313757) is 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine is CSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1.
What is the InChIKey of 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine?
The InChIKey is NVIRSWYJDAOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S2/c1-22-17-21-15-14(19-11-6-4-5-10(18)9-11)12-7-2-3-8-13(12)20-16(15)23-17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine?
3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine has a molecular weight of 338.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylsulfanyl-[1,3]thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine is sourced from PubChem (CID 11313757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).