N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine

C14H16BrN3OS — CID 107295824

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
SMILESBrc1ccccc1-c1nnc(CNCC2CCSC2)o1
InChIInChI=1S/C14H16BrN3OS/c15-12-4-2-1-3-11(12)14-18-17-13(19-14)8-16-7-10-5-6-20-9-10/h1-4,10,16H,5-9H2
InChIKeyMNNSBOLEJRFNEM-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.34
Rot. Bonds5

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107295824) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107295824
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
SMILESBrc1ccccc1-c1nnc(CNCC2CCSC2)o1
InChIInChI=1S/C14H16BrN3OS/c15-12-4-2-1-3-11(12)14-18-17-13(19-14)8-16-7-10-5-6-20-9-10/h1-4,10,16H,5-9H2
InChIKeyMNNSBOLEJRFNEM-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63711321
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80726258
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
CID 106895821
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
CID 65106277
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pent-3-yn-1-amine
CID 116643795
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
CID 106292907
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
CID 43236759
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212426

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine (CID 107295824) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine is Brc1ccccc1-c1nnc(CNCC2CCSC2)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is MNNSBOLEJRFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c15-12-4-2-1-3-11(12)14-18-17-13(19-14)8-16-7-10-5-6-20-9-10/h1-4,10,16H,5-9H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 354.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107295824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).