(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

C9H10BrN3OS — CID 61346436

IUPAC(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cc(Br)cs2)no1
InChIInChI=1S/C9H10BrN3OS/c1-2-7-12-9(13-14-7)8(11)6-3-5(10)4-15-6/h3-4,8H,2,11H2,1H3
InChIKeyPLGPHRYHFFYYMM-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.50
Rot. Bonds3

About (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 61346436) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID61346436
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cc(Br)cs2)no1
InChIInChI=1S/C9H10BrN3OS/c1-2-7-12-9(13-14-7)8(11)6-3-5(10)4-15-6/h3-4,8H,2,11H2,1H3
InChIKeyPLGPHRYHFFYYMM-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-3-[1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71934629
(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)methanamine
CID 25219497
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 97353356
(2,5-Dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 54977383
N-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2-difluoroethyl)propan-1-amine
CID 56250064
(5-Bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61345436
(3-Methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61345588
Thiophen-2-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61345768
(5-Methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61346212
(4-Bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61346817
(5-Ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62346465
N-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258854

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (CID 61346436) is (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is CCc1nc(C(N)c2cc(Br)cs2)no1.
What is the InChIKey of (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is PLGPHRYHFFYYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-2-7-12-9(13-14-7)8(11)6-3-5(10)4-15-6/h3-4,8H,2,11H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 288.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 61346436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).