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

C15H18ClNS — CID 54586592

IUPAC2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccccc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-11-8-13-14(12-6-4-3-5-7-12)9-16(2)10-15(13)17-11;/h3-8,14H,9-10H2,1-2H3;1H
InChIKeyVHAHIEDDHTWGHX-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.06
Rot. Bonds1

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

2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54586592) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54586592
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccccc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-11-8-13-14(12-6-4-3-5-7-12)9-16(2)10-15(13)17-11;/h3-8,14H,9-10H2,1-2H3;1H
InChIKeyVHAHIEDDHTWGHX-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

Btcp
CID 123692
Gacyclidine
CID 176265
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CID 11778702
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-piperidine
CID 398373
Thionaphthene, 2-[1-(1-piperidyl)cyclopentyl]-
CID 398418
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dibutyl-amine
CID 439053
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine
CID 618551
3-Methyl-1,2,3,4-tetrahydro{1}benzothieno{3,2-c}pyridine
CID 193900
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54586592) is 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is Cc1cc2c(s1)CN(C)CC2c1ccccc1.Cl.
What is the InChIKey of 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is VHAHIEDDHTWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-11-8-13-14(12-6-4-3-5-7-12)9-16(2)10-15(13)17-11;/h3-8,14H,9-10H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54586592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).