5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride

C14H15Cl2NS — CID 657310

IUPAC5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
SMILESClc1ccccc1CN1CCc2sccc2C1.[Cl-].[H+]
InChIInChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
InChIKeyMTKNGOHFNXIVOS-UHFFFAOYSA-N
MW300.25 g/mol
LogP1.08
Rot. Bonds2

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

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride (PubChem CID 657310) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
PubChem CID657310
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
SMILESClc1ccccc1CN1CCc2sccc2C1.[Cl-].[H+]
InChIInChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
InChIKeyMTKNGOHFNXIVOS-UHFFFAOYSA-N
XLogP1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
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
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]-N-methylethanamine
CID 115463479
5-[(2-nitrophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041301
5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16599442
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-diethylsilane
CID 131746096
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 70273409

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride (CID 657310) is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride is Clc1ccccc1CN1CCc2sccc2C1.[Cl-].[H+].
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride?
The InChIKey is MTKNGOHFNXIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H.
What are the key properties of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride?
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride has a molecular weight of 300.25 g/mol, XLogP of 1.08, 2 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]pyridine;hydron;chloride is sourced from PubChem (CID 657310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).