3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C15H10N4OS — CID 63096652

IUPAC3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C15H10N4OS/c16-13-11(5-7-21-13)15-18-14(19-20-15)10-3-4-12-9(8-10)2-1-6-17-12/h1-8H,16H2
InChIKeyIGNYPTCOEKUVST-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.60
Rot. Bonds2

About 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 63096652) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID63096652
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESNc1sccc1-c1nc(-c2ccc3ncccc3c2)no1
InChIInChI=1S/C15H10N4OS/c16-13-11(5-7-21-13)15-18-14(19-20-15)10-3-4-12-9(8-10)2-1-6-17-12/h1-8H,16H2
InChIKeyIGNYPTCOEKUVST-UHFFFAOYSA-N
XLogP3.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 63096652) is 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is Nc1sccc1-c1nc(-c2ccc3ncccc3c2)no1.
What is the InChIKey of 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is IGNYPTCOEKUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-13-11(5-7-21-13)15-18-14(19-20-15)10-3-4-12-9(8-10)2-1-6-17-12/h1-8H,16H2.
What are the key properties of 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 294.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 63096652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).