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

C10H12N2S — CID 60699782

IUPAC2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
SMILESCC1c2ccsc2CCN1CC#N
InChIInChI=1S/C10H12N2S/c1-8-9-3-7-13-10(9)2-5-12(8)6-4-11/h3,7-8H,2,5-6H2,1H3
InChIKeyMVOABPQKWKPAJK-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.19
Rot. Bonds1

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

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile (PubChem CID 60699782) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
PubChem CID60699782
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
SMILESCC1c2ccsc2CCN1CC#N
InChIInChI=1S/C10H12N2S/c1-8-9-3-7-13-10(9)2-5-12(8)6-4-11/h3,7-8H,2,5-6H2,1H3
InChIKeyMVOABPQKWKPAJK-UHFFFAOYSA-N
XLogP2.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanenitrile
CID 65251827
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
CID 60699752
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
2-cyclopropyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-amine
CID 55009206
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
N-(1-cyanocyclohexyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 51227395
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-prop-2-ynylacetamide
CID 9000758
1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 55008611
1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321548
4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929810
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
5,6-dimethyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 9321756

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile?
The IUPAC name of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile (CID 60699782) is 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile?
The canonical SMILES for 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile is CC1c2ccsc2CCN1CC#N.
What is the InChIKey of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile?
The InChIKey is MVOABPQKWKPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8-9-3-7-13-10(9)2-5-12(8)6-4-11/h3,7-8H,2,5-6H2,1H3.
What are the key properties of 2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile?
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.19, 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)acetonitrile is sourced from PubChem (CID 60699782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).