2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride

C16H18Cl2N2OS — CID 19787197

IUPAC2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride
SMILESCCO.Cc1ccccc1-c1c(N)cnc2sc(Cl)cc12.Cl
InChIInChI=1S/C14H11ClN2S.C2H6O.ClH/c1-8-4-2-3-5-9(8)13-10-6-12(15)18-14(10)17-7-11(13)16;1-2-3;/h2-7H,16H2,1H3;3H,2H2,1H3;1H
InChIKeyTZSYDGUNVNXJOJ-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.93
Rot. Bonds1

About 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride

2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride (PubChem CID 19787197) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride
PubChem CID19787197
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride
SMILESCCO.Cc1ccccc1-c1c(N)cnc2sc(Cl)cc12.Cl
InChIInChI=1S/C14H11ClN2S.C2H6O.ClH/c1-8-4-2-3-5-9(8)13-10-6-12(15)18-14(10)17-7-11(13)16;1-2-3;/h2-7H,16H2,1H3;3H,2H2,1H3;1H
InChIKeyTZSYDGUNVNXJOJ-UHFFFAOYSA-N
XLogP4.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride?
The IUPAC name of 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride (CID 19787197) is 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride.
What is the SMILES notation for 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride?
The canonical SMILES for 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride is CCO.Cc1ccccc1-c1c(N)cnc2sc(Cl)cc12.Cl.
What is the InChIKey of 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride?
The InChIKey is TZSYDGUNVNXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S.C2H6O.ClH/c1-8-4-2-3-5-9(8)13-10-6-12(15)18-14(10)17-7-11(13)16;1-2-3;/h2-7H,16H2,1H3;3H,2H2,1H3;1H.
What are the key properties of 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride?
2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride has a molecular weight of 357.31 g/mol, XLogP of 4.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride is sourced from PubChem (CID 19787197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).