2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole

C13H11N3S2 — CID 755405

IUPAC2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cc(Sc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C13H11N3S2/c1-8-7-12(18-13-16-15-9(2)17-13)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3
InChIKeyFMVZKGYXMKDRSK-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.85
Rot. Bonds2

About 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole

2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole (PubChem CID 755405) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole
PubChem CID755405
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole
SMILESCc1cc(Sc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C13H11N3S2/c1-8-7-12(18-13-16-15-9(2)17-13)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3
InChIKeyFMVZKGYXMKDRSK-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole (CID 755405) is 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole is Cc1cc(Sc2nnc(C)s2)c2ccccc2n1.
What is the InChIKey of 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is FMVZKGYXMKDRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-8-7-12(18-13-16-15-9(2)17-13)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3.
What are the key properties of 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole?
2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole has a molecular weight of 273.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 755405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).