2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium

C16H18NSY- — CID 147473530

IUPAC2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium
SMILESCc1cc2c(s1)CCN(C(C)c1[c-]cccc1)C2.[Y]
InChIInChI=1S/C16H18NS.Y/c1-12-10-15-11-17(9-8-16(15)18-12)13(2)14-6-4-3-5-7-14;/h3-6,10,13H,8-9,11H2,1-2H3;/q-1;
InChIKeyPSGDAWMJPZLGRA-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.97
Rot. Bonds2

About 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium

2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium (PubChem CID 147473530) has the molecular formula C16H18NSY- and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium.

Molecular Properties

Compound Name2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium
PubChem CID147473530
Molecular FormulaC16H18NSY-
Molecular Weight345.30 g/mol
Exact Mass345.02
IUPAC Name2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium
SMILESCc1cc2c(s1)CCN(C(C)c1[c-]cccc1)C2.[Y]
InChIInChI=1S/C16H18NS.Y/c1-12-10-15-11-17(9-8-16(15)18-12)13(2)14-6-4-3-5-7-14;/h3-6,10,13H,8-9,11H2,1-2H3;/q-1;
InChIKeyPSGDAWMJPZLGRA-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl 2-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 77247889
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 59078186
butane;2-methyl-5-trityl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 143804003
3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61262376
2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122503344
2-(1-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline
CID 119103449
(5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)methanamine
CID 82508197
2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetic acid;hydrochloride
CID 71082518
2-[1-(5-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903806
carbanide;(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetonitrile;ethane;5-[(1R)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-[(1S)-1-phenylethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;tetrakis(yttrium)
CID 159386149
methyl (2S)-2-(2-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 144590393
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium?
The IUPAC name of 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium (CID 147473530) is 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium.
What is the SMILES notation for 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium?
The canonical SMILES for 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium is Cc1cc2c(s1)CCN(C(C)c1[c-]cccc1)C2.[Y].
What is the InChIKey of 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium?
The InChIKey is PSGDAWMJPZLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NS.Y/c1-12-10-15-11-17(9-8-16(15)18-12)13(2)14-6-4-3-5-7-14;/h3-6,10,13H,8-9,11H2,1-2H3;/q-1;.
What are the key properties of 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium?
2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium has a molecular weight of 345.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;yttrium is sourced from PubChem (CID 147473530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).