2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine

C10H12IN3O2S — CID 104636361

IUPAC2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C10H12IN3O2S/c1-10(12,5-15-2)9-13-8(16-14-9)6-3-7(11)17-4-6/h3-4H,5,12H2,1-2H3
InChIKeyKMXYRYHYVTXCAW-UHFFFAOYSA-N
MW365.20 g/mol
LogP2.22
Rot. Bonds4

About 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine

2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (PubChem CID 104636361) has the molecular formula C10H12IN3O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
PubChem CID104636361
Molecular FormulaC10H12IN3O2S
Molecular Weight365.20 g/mol
Exact Mass364.97
IUPAC Name2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2csc(I)c2)n1
InChIInChI=1S/C10H12IN3O2S/c1-10(12,5-15-2)9-13-8(16-14-9)6-3-7(11)17-4-6/h3-4H,5,12H2,1-2H3
InChIKeyKMXYRYHYVTXCAW-UHFFFAOYSA-N
XLogP2.22
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636331
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435625
3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
CID 130735503
2-[5-(3-fluoro-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636511
2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636559
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79684730
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79683684

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The IUPAC name of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (CID 104636361) is 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.
What is the SMILES notation for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The canonical SMILES for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is COCC(C)(N)c1noc(-c2csc(I)c2)n1.
What is the InChIKey of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The InChIKey is KMXYRYHYVTXCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2S/c1-10(12,5-15-2)9-13-8(16-14-9)6-3-7(11)17-4-6/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine has a molecular weight of 365.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is sourced from PubChem (CID 104636361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).