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

C12H10N2OS2 — CID 62501044

IUPAC3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2cccs2)s1
InChIInChI=1S/C12H10N2OS2/c1-7-4-5-9(17-7)11-10(12(13)15-14-11)8-3-2-6-16-8/h2-6H,13H2,1H3
InChIKeyDKPBLBQETKCZCX-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.02
Rot. Bonds2

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

3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62501044) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62501044
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2cccs2)s1
InChIInChI=1S/C12H10N2OS2/c1-7-4-5-9(17-7)11-10(12(13)15-14-11)8-3-2-6-16-8/h2-6H,13H2,1H3
InChIKeyDKPBLBQETKCZCX-UHFFFAOYSA-N
XLogP4.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62501044) is 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2cccs2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is DKPBLBQETKCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-7-4-5-9(17-7)11-10(12(13)15-14-11)8-3-2-6-16-8/h2-6H,13H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 262.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62501044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).