2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C12H10N4OS — CID 62255432

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nnc(Sc2nc3c(cc2C#N)CCC3)o1
InChIInChI=1S/C12H10N4OS/c1-7-15-16-12(17-7)18-11-9(6-13)5-8-3-2-4-10(8)14-11/h5H,2-4H2,1H3
InChIKeyNFACPCLGFGMJKE-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.28
Rot. Bonds2

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 62255432) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID62255432
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nnc(Sc2nc3c(cc2C#N)CCC3)o1
InChIInChI=1S/C12H10N4OS/c1-7-15-16-12(17-7)18-11-9(6-13)5-8-3-2-4-10(8)14-11/h5H,2-4H2,1H3
InChIKeyNFACPCLGFGMJKE-UHFFFAOYSA-N
XLogP2.28
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 62255432) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nnc(Sc2nc3c(cc2C#N)CCC3)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NFACPCLGFGMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-15-16-12(17-7)18-11-9(6-13)5-8-3-2-4-10(8)14-11/h5H,2-4H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 258.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 62255432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).