1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

C12H18N4OS — CID 104635324

IUPAC1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(-c2nc(C(N)CN(C)C)no2)s1
InChIInChI=1S/C12H18N4OS/c1-4-8-5-6-10(18-8)12-14-11(15-17-12)9(13)7-16(2)3/h5-6,9H,4,7,13H2,1-3H3
InChIKeyQSTYDLWSNAVVJD-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.92
Rot. Bonds5

About 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 104635324) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID104635324
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(-c2nc(C(N)CN(C)C)no2)s1
InChIInChI=1S/C12H18N4OS/c1-4-8-5-6-10(18-8)12-14-11(15-17-12)9(13)7-16(2)3/h5-6,9H,4,7,13H2,1-3H3
InChIKeyQSTYDLWSNAVVJD-UHFFFAOYSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636193
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635185
1-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635308
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
N',N'-dimethyl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635174
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 114021757
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635095
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635360
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635074
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 104635324) is 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is CCc1ccc(-c2nc(C(N)CN(C)C)no2)s1.
What is the InChIKey of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QSTYDLWSNAVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-8-5-6-10(18-8)12-14-11(15-17-12)9(13)7-16(2)3/h5-6,9H,4,7,13H2,1-3H3.
What are the key properties of 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 266.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104635324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).