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

C11H14N2S — CID 60699752

IUPAC2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
SMILESCC(C#N)N1CCc2sccc2C1C
InChIInChI=1S/C11H14N2S/c1-8(7-12)13-5-3-11-10(9(13)2)4-6-14-11/h4,6,8-9H,3,5H2,1-2H3
InChIKeyYUIKDWWEQQTQTQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.58
Rot. Bonds1

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

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile (PubChem CID 60699752) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
PubChem CID60699752
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
SMILESCC(C#N)N1CCc2sccc2C1C
InChIInChI=1S/C11H14N2S/c1-8(7-12)13-5-3-11-10(9(13)2)4-6-14-11/h4,6,8-9H,3,5H2,1-2H3
InChIKeyYUIKDWWEQQTQTQ-UHFFFAOYSA-N
XLogP2.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427908
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 55011505
2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 79409785
N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62427423
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpentan-1-amine
CID 83055299
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427583
(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 155312390
N-ethyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 55073629
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 62901240
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpropan-1-amine
CID 103225921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile?
The IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile (CID 60699752) is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile.
What is the SMILES notation for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile?
The canonical SMILES for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile is CC(C#N)N1CCc2sccc2C1C.
What is the InChIKey of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile?
The InChIKey is YUIKDWWEQQTQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8(7-12)13-5-3-11-10(9(13)2)4-6-14-11/h4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile?
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile has a molecular weight of 206.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile is sourced from PubChem (CID 60699752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).