1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride

C14H14ClNS — CID 12861807

IUPAC1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
SMILESCCc1nc(C)cc2c1sc1ccccc12.Cl
InChIInChI=1S/C14H13NS.ClH/c1-3-12-14-11(8-9(2)15-12)10-6-4-5-7-13(10)16-14;/h4-8H,3H2,1-2H3;1H
InChIKeyKKVSKEPQZIWGBB-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.74
Rot. Bonds1

About 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride

1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride (PubChem CID 12861807) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
PubChem CID12861807
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride
SMILESCCc1nc(C)cc2c1sc1ccccc12.Cl
InChIInChI=1S/C14H13NS.ClH/c1-3-12-14-11(8-9(2)15-12)10-6-4-5-7-13(10)16-14;/h4-8H,3H2,1-2H3;1H
InChIKeyKKVSKEPQZIWGBB-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride (CID 12861807) is 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride is CCc1nc(C)cc2c1sc1ccccc12.Cl.
What is the InChIKey of 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
The InChIKey is KKVSKEPQZIWGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS.ClH/c1-3-12-14-11(8-9(2)15-12)10-6-4-5-7-13(10)16-14;/h4-8H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride?
1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-[1]benzothiolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 12861807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).