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

C13H16N4S — CID 62181991

IUPAC4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine
SMILESCC1CCc2ccccc2N1Cc1nnsc1N
InChIInChI=1S/C13H16N4S/c1-9-6-7-10-4-2-3-5-12(10)17(9)8-11-13(14)18-16-15-11/h2-5,9H,6-8,14H2,1H3
InChIKeyHYBTTWBUVHBTIZ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.46
Rot. Bonds2

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

4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62181991) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62181991
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine
SMILESCC1CCc2ccccc2N1Cc1nnsc1N
InChIInChI=1S/C13H16N4S/c1-9-6-7-10-4-2-3-5-12(10)17(9)8-11-13(14)18-16-15-11/h2-5,9H,6-8,14H2,1H3
InChIKeyHYBTTWBUVHBTIZ-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine (CID 62181991) is 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine is CC1CCc2ccccc2N1Cc1nnsc1N.
What is the InChIKey of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is HYBTTWBUVHBTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-9-6-7-10-4-2-3-5-12(10)17(9)8-11-13(14)18-16-15-11/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine?
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 260.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62181991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).