3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine

C13H12N2OS2 — CID 65238973

IUPAC3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccs2)sc1C
InChIInChI=1S/C13H12N2OS2/c1-7-6-10(18-8(7)2)12-11(13(14)16-15-12)9-4-3-5-17-9/h3-6H,14H2,1-2H3
InChIKeyYZAZRIVHFMBUSY-UHFFFAOYSA-N
MW276.39 g/mol
LogP4.33
Rot. Bonds2

About 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine

3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 65238973) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID65238973
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2cccs2)sc1C
InChIInChI=1S/C13H12N2OS2/c1-7-6-10(18-8(7)2)12-11(13(14)16-15-12)9-4-3-5-17-9/h3-6H,14H2,1-2H3
InChIKeyYZAZRIVHFMBUSY-UHFFFAOYSA-N
XLogP4.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 65238973) is 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2cccs2)sc1C.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is YZAZRIVHFMBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-7-6-10(18-8(7)2)12-11(13(14)16-15-12)9-4-3-5-17-9/h3-6H,14H2,1-2H3.
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 65238973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).