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

C11H14N2S — CID 84779244

IUPAC2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile
SMILESCC(C#N)c1cc2c(s1)CCN(C)C2
InChIInChI=1S/C11H14N2S/c1-8(6-12)11-5-9-7-13(2)4-3-10(9)14-11/h5,8H,3-4,7H2,1-2H3
InChIKeyCIDKIWDDDWNPFV-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.36
Rot. Bonds1

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

2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile (PubChem CID 84779244) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile
PubChem CID84779244
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile
SMILESCC(C#N)c1cc2c(s1)CCN(C)C2
InChIInChI=1S/C11H14N2S/c1-8(6-12)11-5-9-7-13(2)4-3-10(9)14-11/h5,8H,3-4,7H2,1-2H3
InChIKeyCIDKIWDDDWNPFV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)prop-1-en-1-ol
CID 163583514
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82384737
2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
CID 112708628
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82382650
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122503344
(5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)methanamine
CID 82508197
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile?
The IUPAC name of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile (CID 84779244) is 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile.
What is the SMILES notation for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile?
The canonical SMILES for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile is CC(C#N)c1cc2c(s1)CCN(C)C2.
What is the InChIKey of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile?
The InChIKey is CIDKIWDDDWNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8(6-12)11-5-9-7-13(2)4-3-10(9)14-11/h5,8H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile?
2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile has a molecular weight of 206.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile is sourced from PubChem (CID 84779244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).