[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine

C11H13N3OS — CID 62255617

IUPAC[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nnc(SCc2cccc(CN)c2)o1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)16-7-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3
InChIKeyUXQNCPNPXDZWLH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.13
Rot. Bonds4

About [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine

[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 62255617) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID62255617
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nnc(SCc2cccc(CN)c2)o1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)16-7-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3
InChIKeyUXQNCPNPXDZWLH-UHFFFAOYSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine with MolForge

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
CID 62254011
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 6986410
2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2937782
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 79239234
methyl 2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 103749395
[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629781
3-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
CID 55631136
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-1-amine;hydrochloride
CID 6457449
3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
CID 62582083

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine (CID 62255617) is [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine is Cc1nnc(SCc2cccc(CN)c2)o1.
What is the InChIKey of [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is UXQNCPNPXDZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)16-7-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3.
What are the key properties of [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 62255617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).