4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine

C11H11N3OS — CID 43559202

IUPAC4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine
SMILESNC1(c2ncon2)CCSc2ccccc21
InChIInChI=1S/C11H11N3OS/c12-11(10-13-7-15-14-10)5-6-16-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2
InChIKeySKFFGCVKNJLXCB-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.77
Rot. Bonds1

About 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine

4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine (PubChem CID 43559202) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine
PubChem CID43559202
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine
SMILESNC1(c2ncon2)CCSc2ccccc21
InChIInChI=1S/C11H11N3OS/c12-11(10-13-7-15-14-10)5-6-16-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2
InChIKeySKFFGCVKNJLXCB-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine (CID 43559202) is 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine is NC1(c2ncon2)CCSc2ccccc21.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine?
The InChIKey is SKFFGCVKNJLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11(10-13-7-15-14-10)5-6-16-9-4-2-1-3-8(9)11/h1-4,7H,5-6,12H2.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine?
4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine has a molecular weight of 233.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine is sourced from PubChem (CID 43559202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).