5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C12H10N4S2 — CID 2799527

IUPAC5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N)s2)c2ccccc2n1
InChIInChI=1S/C12H10N4S2/c1-7-6-10(17-12-16-15-11(13)18-12)8-4-2-3-5-9(8)14-7/h2-6H,1H3,(H2,13,15)
InChIKeyMPDLVRORXKKUPH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds2

About 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2799527) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2799527
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N)s2)c2ccccc2n1
InChIInChI=1S/C12H10N4S2/c1-7-6-10(17-12-16-15-11(13)18-12)8-4-2-3-5-9(8)14-7/h2-6H,1H3,(H2,13,15)
InChIKeyMPDLVRORXKKUPH-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 2799527) is 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Cc1cc(Sc2nnc(N)s2)c2ccccc2n1.
What is the InChIKey of 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MPDLVRORXKKUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-7-6-10(17-12-16-15-11(13)18-12)8-4-2-3-5-9(8)14-7/h2-6H,1H3,(H2,13,15).
What are the key properties of 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-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 5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2799527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).