2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile

C14H13N3S — CID 94015449

IUPAC2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
SMILESC[C@H]1c2ccsc2CCN1c1ncccc1C#N
InChIInChI=1S/C14H13N3S/c1-10-12-5-8-18-13(12)4-7-17(10)14-11(9-15)3-2-6-16-14/h2-3,5-6,8,10H,4,7H2,1H3/t10-/m0/s1
InChIKeyMTAHURBUUDPIAI-JTQLQIEISA-N
MW255.35 g/mol
LogP3.14
Rot. Bonds1

About 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile

2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile (PubChem CID 94015449) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
PubChem CID94015449
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
SMILESC[C@H]1c2ccsc2CCN1c1ncccc1C#N
InChIInChI=1S/C14H13N3S/c1-10-12-5-8-18-13(12)4-7-17(10)14-11(9-15)3-2-6-16-14/h2-3,5-6,8,10H,4,7H2,1H3/t10-/m0/s1
InChIKeyMTAHURBUUDPIAI-JTQLQIEISA-N
XLogP3.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile (CID 94015449) is 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile is C[C@H]1c2ccsc2CCN1c1ncccc1C#N.
What is the InChIKey of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile?
The InChIKey is MTAHURBUUDPIAI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-12-5-8-18-13(12)4-7-17(10)14-11(9-15)3-2-6-16-14/h2-3,5-6,8,10H,4,7H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile?
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 94015449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).