2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

C14H14N4OS2 — CID 106847328

IUPAC2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCSc1ccc(-c2noc(-c3csc(CCN)n3)n2)cc1
InChIInChI=1S/C14H14N4OS2/c1-20-10-4-2-9(3-5-10)13-17-14(19-18-13)11-8-21-12(16-11)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyXVDWGSXYLCQCCP-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 106847328) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID106847328
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCSc1ccc(-c2noc(-c3csc(CCN)n3)n2)cc1
InChIInChI=1S/C14H14N4OS2/c1-20-10-4-2-9(3-5-10)13-17-14(19-18-13)11-8-21-12(16-11)6-7-15/h2-5,8H,6-7,15H2,1H3
InChIKeyXVDWGSXYLCQCCP-UHFFFAOYSA-N
XLogP3.08
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66379358
2-[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 104797902
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373851
[4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380335
2-[4-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375015
2-[4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373862
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116702835
2-[4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373091
3-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206531
2-[4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116701964

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 106847328) is 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CSc1ccc(-c2noc(-c3csc(CCN)n3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is XVDWGSXYLCQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-20-10-4-2-9(3-5-10)13-17-14(19-18-13)11-8-21-12(16-11)6-7-15/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 318.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 106847328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).