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

C15H17Cl2NS — CID 54587634

IUPAC4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-10-7-13-14(8-17(2)9-15(13)18-10)11-3-5-12(16)6-4-11;/h3-7,14H,8-9H2,1-2H3;1H
InChIKeySWQSFFJASRTZSP-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.71
Rot. Bonds1

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

4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54587634) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54587634
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-10-7-13-14(8-17(2)9-15(13)18-10)11-3-5-12(16)6-4-11;/h3-7,14H,8-9H2,1-2H3;1H
InChIKeySWQSFFJASRTZSP-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54587634) is 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is Cc1cc2c(s1)CN(C)CC2c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is SWQSFFJASRTZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS.ClH/c1-10-7-13-14(8-17(2)9-15(13)18-10)11-3-5-12(16)6-4-11;/h3-7,14H,8-9H2,1-2H3;1H.
What are the key properties of 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 314.28 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54587634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).