5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C14H14Cl3NS — CID 3041286

IUPAC5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(CN2CCc3sccc3C2)cc1Cl
InChIInChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-10(7-13(12)16)8-17-5-3-14-11(9-17)4-6-18-14;/h1-2,4,6-7H,3,5,8-9H2;1H
InChIKeyGGEWXAGWIDHLJM-UHFFFAOYSA-N
MW334.70 g/mol
LogP5.03
Rot. Bonds2

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

5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 3041286) has the molecular formula C14H14Cl3NS and a molecular weight of 334.70 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID3041286
Molecular FormulaC14H14Cl3NS
Molecular Weight334.70 g/mol
Exact Mass332.99
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(CN2CCc3sccc3C2)cc1Cl
InChIInChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-10(7-13(12)16)8-17-5-3-14-11(9-17)4-6-18-14;/h1-2,4,6-7H,3,5,8-9H2;1H
InChIKeyGGEWXAGWIDHLJM-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.70
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
5-[(4-chloro-3-nitrophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 43350268
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56514315
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310
5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041283
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-iodoaniline
CID 112750992
5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16599442
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 72945001
5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 18138096
[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
CID 102768916

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 3041286) is 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.Clc1ccc(CN2CCc3sccc3C2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is GGEWXAGWIDHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-10(7-13(12)16)8-17-5-3-14-11(9-17)4-6-18-14;/h1-2,4,6-7H,3,5,8-9H2;1H.
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 334.70 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3041286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).