4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine

C12H10N4S2 — CID 103002541

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine
SMILESCc1nnc(Sc2ccnc3cc(N)ccc23)s1
InChIInChI=1S/C12H10N4S2/c1-7-15-16-12(17-7)18-11-4-5-14-10-6-8(13)2-3-9(10)11/h2-6H,13H2,1H3
InChIKeyUYKJAJQWUPBFGS-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds2

About 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine (PubChem CID 103002541) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine
PubChem CID103002541
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine
SMILESCc1nnc(Sc2ccnc3cc(N)ccc23)s1
InChIInChI=1S/C12H10N4S2/c1-7-15-16-12(17-7)18-11-4-5-14-10-6-8(13)2-3-9(10)11/h2-6H,13H2,1H3
InChIKeyUYKJAJQWUPBFGS-UHFFFAOYSA-N
XLogP3.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine 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 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine (CID 103002541) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine is Cc1nnc(Sc2ccnc3cc(N)ccc23)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine?
The InChIKey is UYKJAJQWUPBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-7-15-16-12(17-7)18-11-4-5-14-10-6-8(13)2-3-9(10)11/h2-6H,13H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine has a molecular weight of 274.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine is sourced from PubChem (CID 103002541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).