3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile

C12H7N3O2S — CID 102769609

IUPAC3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1Oc1ncc(N)s1
InChIInChI=1S/C12H7N3O2S/c13-5-9-11(17-12-15-6-10(14)18-12)7-3-1-2-4-8(7)16-9/h1-4,6H,14H2
InChIKeyYKYYMXYXIBFALQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.14
Rot. Bonds2

About 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile

3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile (PubChem CID 102769609) has the molecular formula C12H7N3O2S and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile
PubChem CID102769609
Molecular FormulaC12H7N3O2S
Molecular Weight257.27 g/mol
Exact Mass257.03
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1Oc1ncc(N)s1
InChIInChI=1S/C12H7N3O2S/c13-5-9-11(17-12-15-6-10(14)18-12)7-3-1-2-4-8(7)16-9/h1-4,6H,14H2
InChIKeyYKYYMXYXIBFALQ-UHFFFAOYSA-N
XLogP3.14
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile (CID 102769609) is 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile is N#Cc1oc2ccccc2c1Oc1ncc(N)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile?
The InChIKey is YKYYMXYXIBFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2S/c13-5-9-11(17-12-15-6-10(14)18-12)7-3-1-2-4-8(7)16-9/h1-4,6H,14H2.
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile?
3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)oxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 102769609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).