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

C18H24ClNSSi — CID 131746096

IUPAC[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane
SMILESCC[SiH](CC)c1cc2c(s1)CCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C18H24ClNSSi/c1-3-22(4-2)18-11-15-13-20(10-9-17(15)21-18)12-14-7-5-6-8-16(14)19/h5-8,11,22H,3-4,9-10,12-13H2,1-2H3
InChIKeyAIVOCMBMRQQSSP-UHFFFAOYSA-N
MW350.00 g/mol
LogP4.43
Rot. Bonds5

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

[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane (PubChem CID 131746096) has the molecular formula C18H24ClNSSi and a molecular weight of 350.00 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane
PubChem CID131746096
Molecular FormulaC18H24ClNSSi
Molecular Weight350.00 g/mol
Exact Mass349.11
IUPAC Name[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane
SMILESCC[SiH](CC)c1cc2c(s1)CCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C18H24ClNSSi/c1-3-22(4-2)18-11-15-13-20(10-9-17(15)21-18)12-14-7-5-6-8-16(14)19/h5-8,11,22H,3-4,9-10,12-13H2,1-2H3
InChIKeyAIVOCMBMRQQSSP-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.00
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane
CID 160980137
5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
CID 15097004
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 174310486
1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 142218296
1-[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530083
methyl N-[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529087
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
[5-[(2-chloro-6-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 56949373
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane?
The IUPAC name of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane (CID 131746096) is [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane.
What is the SMILES notation for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane?
The canonical SMILES for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane is CC[SiH](CC)c1cc2c(s1)CCN(Cc1ccccc1Cl)C2.
What is the InChIKey of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane?
The InChIKey is AIVOCMBMRQQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNSSi/c1-3-22(4-2)18-11-15-13-20(10-9-17(15)21-18)12-14-7-5-6-8-16(14)19/h5-8,11,22H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane?
[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane has a molecular weight of 350.00 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane is sourced from PubChem (CID 131746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).