4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine

C10H8N4OS2 — CID 46299748

IUPAC4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C10H8N4OS2/c1-5-7(17-10(11)12-5)9-13-8(14-15-9)6-3-2-4-16-6/h2-4H,1H3,(H2,11,12)
InChIKeyITAOIEORJHUWIC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.81
Rot. Bonds2

About 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine

4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 46299748) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID46299748
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC Name4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C10H8N4OS2/c1-5-7(17-10(11)12-5)9-13-8(14-15-9)6-3-2-4-16-6/h2-4H,1H3,(H2,11,12)
InChIKeyITAOIEORJHUWIC-UHFFFAOYSA-N
XLogP2.81
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine (CID 46299748) is 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is ITAOIEORJHUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c1-5-7(17-10(11)12-5)9-13-8(14-15-9)6-3-2-4-16-6/h2-4H,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46299748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).