2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C14H15Cl2NS — CID 20546726

IUPAC2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H
InChIKeyMXGOXIIIQBZZTQ-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.40
Rot. Bonds1

About 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 20546726) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID20546726
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H
InChIKeyMXGOXIIIQBZZTQ-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ticlopidine
CID 5472
Ticlopidine Hydrochloride
CID 65335
4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 13210725
1-[1-[2-(2,3-dichlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168296118
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
Ticlopidine N-Oxide
CID 71752573
1-[(5-Chloro-1-benzothien-3-yl)methyl]piperidine
CID 15945612
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
4-(4-bromophenyl)-2-chloro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584660
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 20546726) is 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is CN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl.
What is the InChIKey of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is MXGOXIIIQBZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H.
What are the key properties of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 300.25 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 20546726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).