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'}

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Related Compounds

2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-quinolin-4-yl-acetamide
CID 1952659
2-Methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole
CID 755405
N-quinolin-5-ylthiophene-2-sulfonamide
CID 2082094
5-methyl-N-quinolin-5-ylthiophene-2-sulfonamide
CID 2082098
2-Quinolin-3-yl-1,3,4-thiadiazole
CID 54232464
2-Amino-5-(4-quinolyl)-1,3,4-thiadiazole hydrochloride
CID 199039
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(trifluoromethyl)quinoline
CID 16654103
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine
CID 154747179
8-fluoro-N-[2-(5-methylthiophen-2-yl)ethyl]quinolin-4-amine
CID 17874810
N-(quinolin-5-yl)thiophene-2-carbothioamide
CID 145997494
7-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinolin-4-amine
CID 72015290
7-Fluoro-8-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-5-amine
CID 83164668

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).