(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile

C15H10N2O2S — CID 2323220

IUPAC(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
SMILESCc1csc([C@H](C#N)C(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H10N2O2S/c1-9-8-20-15(17-9)11(7-16)14(18)13-6-10-4-2-3-5-12(10)19-13/h2-6,8,11H,1H3/t11-/m1/s1
InChIKeyFBYGGEYDBMOXST-LLVKDONJSA-N
MW282.32 g/mol
LogP3.69
Rot. Bonds3

About (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile

(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile (PubChem CID 2323220) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
PubChem CID2323220
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
SMILESCc1csc([C@H](C#N)C(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H10N2O2S/c1-9-8-20-15(17-9)11(7-16)14(18)13-6-10-4-2-3-5-12(10)19-13/h2-6,8,11H,1H3/t11-/m1/s1
InChIKeyFBYGGEYDBMOXST-LLVKDONJSA-N
XLogP3.69
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chlorophenyl)furan-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 86981862
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-naphthalen-2-ylsulfanyl-3-oxobutanenitrile
CID 8954690
(2S)-3-[3-(1,3-dioxolan-2-yl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 97252320
4-(1,3-benzoxazol-2-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 4809244
3-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 86981877
3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 86981908
3-[2-(2-methoxyethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 47569787
(2R)-3-[2-(2-methoxyethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 95173217
2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-[3-(phenoxymethyl)furan-2-yl]propanenitrile
CID 86981824
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
(2R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopentanenitrile
CID 96541175

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile?
The IUPAC name of (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile (CID 2323220) is (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile?
The canonical SMILES for (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile is Cc1csc([C@H](C#N)C(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile?
The InChIKey is FBYGGEYDBMOXST-LLVKDONJSA-N. The full InChI is InChI=1S/C15H10N2O2S/c1-9-8-20-15(17-9)11(7-16)14(18)13-6-10-4-2-3-5-12(10)19-13/h2-6,8,11H,1H3/t11-/m1/s1.
What are the key properties of (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile?
(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile has a molecular weight of 282.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 2323220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).