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

C14H14ClNS — CID 5472

💊View drug profile → ticlopidine
IUPAC5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1ccccc1CN1CCc2sccc2C1
InChIInChI=1S/C14H14ClNS/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
InChIKeyPHWBOXQYWZNQIN-UHFFFAOYSA-N
MW263.79 g/mol
LogP3.96
Rot. Bonds2

About 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]pyridine (PubChem CID 5472) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID5472
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1ccccc1CN1CCc2sccc2C1
InChIInChI=1S/C14H14ClNS/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
InChIKeyPHWBOXQYWZNQIN-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ticlopidine Hydrochloride
CID 65335
4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
1-[1-[2-(2,3-dichlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168296118
4-(2-Chlorobenzyl)thiomorpholine
CID 791229
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
Ticlopidine-M5
CID 71314787
Ticlopidine N-Oxide
CID 71752573
1-[(5-Chloro-1-benzothien-3-yl)methyl]piperidine
CID 15945612
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587634
2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 20546726
2-chloro-4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584661

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 5472) is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Clc1ccccc1CN1CCc2sccc2C1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is PHWBOXQYWZNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/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.
What are the key properties of 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]pyridine has a molecular weight of 263.79 g/mol, XLogP of 3.96, 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 is sourced from PubChem (CID 5472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).