[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C13H12N4OS — CID 102630181

IUPAC[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccc3ncccc3c2)o1
InChIInChI=1S/C13H12N4OS/c14-7-12-16-17-13(18-12)19-8-9-3-4-11-10(6-9)2-1-5-15-11/h1-6H,7-8,14H2
InChIKeyTXZGAOGPMDWGHI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.37
Rot. Bonds4

About [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630181) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630181
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2ccc3ncccc3c2)o1
InChIInChI=1S/C13H12N4OS/c14-7-12-16-17-13(18-12)19-8-9-3-4-11-10(6-9)2-1-5-15-11/h1-6H,7-8,14H2
InChIKeyTXZGAOGPMDWGHI-UHFFFAOYSA-N
XLogP2.37
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629781
3,5-difluoro-4-(quinolin-6-ylmethylsulfanyl)aniline
CID 61359856
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
[5-[(3,5-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629854
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
CID 66353702
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine
CID 158295759
quinolin-6-ylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83083220
2-phenyl-3-quinolin-6-ylpropan-1-amine
CID 81222399
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
6-(2-bromoethyl)quinoline
CID 68811984

Frequently Asked Questions

What is the IUPAC name of [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630181) is [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2ccc3ncccc3c2)o1.
What is the InChIKey of [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is TXZGAOGPMDWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-7-12-16-17-13(18-12)19-8-9-3-4-11-10(6-9)2-1-5-15-11/h1-6H,7-8,14H2.
What are the key properties of [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 272.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).