[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

C10H11N3OS — CID 79205634

IUPAC[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CSc2ccccc2)o1
InChIInChI=1S/C10H11N3OS/c11-6-9-12-13-10(14-9)7-15-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyQNVMVECGXCEKRK-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.82
Rot. Bonds4

About [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 79205634) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID79205634
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(CSc2ccccc2)o1
InChIInChI=1S/C10H11N3OS/c11-6-9-12-13-10(14-9)7-15-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyQNVMVECGXCEKRK-UHFFFAOYSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 79206209
4-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 79217137
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79133881
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 104590639
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79130704
5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
CID 106966021
3,4-dimethyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44921444
[5-(4-phenylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630594
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660365

Frequently Asked Questions

What is the IUPAC name of [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 79205634) is [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(CSc2ccccc2)o1.
What is the InChIKey of [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is QNVMVECGXCEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-6-9-12-13-10(14-9)7-15-8-4-2-1-3-5-8/h1-5H,6-7,11H2.
What are the key properties of [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 79205634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).