4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

C14H10N4O2S — CID 63090761

IUPAC4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(-c3cc4ccccc4o3)no2)cs1
InChIInChI=1S/C14H10N4O2S/c15-14-16-9(7-21-14)6-12-17-13(18-20-12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,16)
InChIKeyDHOSKFHGCXQFPX-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.11
Rot. Bonds3

About 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 63090761) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID63090761
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(-c3cc4ccccc4o3)no2)cs1
InChIInChI=1S/C14H10N4O2S/c15-14-16-9(7-21-14)6-12-17-13(18-20-12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,16)
InChIKeyDHOSKFHGCXQFPX-UHFFFAOYSA-N
XLogP3.11
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 63090761) is 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc(-c3cc4ccccc4o3)no2)cs1.
What is the InChIKey of 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is DHOSKFHGCXQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c15-14-16-9(7-21-14)6-12-17-13(18-20-12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,16).
What are the key properties of 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 298.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63090761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).