(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C14H14BrN3OS2 — CID 9055741

IUPAC(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H14BrN3OS2/c1-9(18(2)8-10-5-6-12(15)21-10)13-16-17-14(19-13)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyXZVLDDQDUSRYKT-VIFPVBQESA-N
MW384.32 g/mol
LogP4.82
Rot. Bonds5

About (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 9055741) has the molecular formula C14H14BrN3OS2 and a molecular weight of 384.32 g/mol. Its IUPAC name is (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID9055741
Molecular FormulaC14H14BrN3OS2
Molecular Weight384.32 g/mol
Exact Mass382.98
IUPAC Name(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H14BrN3OS2/c1-9(18(2)8-10-5-6-12(15)21-10)13-16-17-14(19-13)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyXZVLDDQDUSRYKT-VIFPVBQESA-N
XLogP4.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
CID 111488736
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506
(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8805811
N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
CID 9125681
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95157002
N-(2-ethylphenyl)-2-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 18197537
(4-bromophenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9042775
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 9055741) is (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Br)s1.
What is the InChIKey of (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is XZVLDDQDUSRYKT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14BrN3OS2/c1-9(18(2)8-10-5-6-12(15)21-10)13-16-17-14(19-13)11-4-3-7-20-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 384.32 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 9055741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).