2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H12N2OS — CID 107780131

IUPAC2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1occc1Sc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H12N2OS/c1-9-13(5-6-17-9)18-14-11(8-15)7-10-3-2-4-12(10)16-14/h5-7H,2-4H2,1H3
InChIKeyVHJGUWZMQIOZEO-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.49
Rot. Bonds2

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

2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 107780131) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID107780131
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1occc1Sc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H12N2OS/c1-9-13(5-6-17-9)18-14-11(8-15)7-10-3-2-4-12(10)16-14/h5-7H,2-4H2,1H3
InChIKeyVHJGUWZMQIOZEO-UHFFFAOYSA-N
XLogP3.49
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63538755
2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 107782665
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62255432
2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63537445
3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
CID 107780096
2-(2,5-difluorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60706339
2-(4-methoxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707160
2-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62884447
2-(3-hydroxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104590888
2-(3-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63538609
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104603070
3-(2-methylfuran-3-yl)sulfanylpyrazine-2-carbonitrile
CID 86785837

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 107780131) is 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1occc1Sc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VHJGUWZMQIOZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-13(5-6-17-9)18-14-11(8-15)7-10-3-2-4-12(10)16-14/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 107780131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).