4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile

C20H14N2OS — CID 134220468

IUPAC4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2cncc3cc(CCO)sc23)c2ccccc12
InChIInChI=1S/C20H14N2OS/c21-10-13-5-6-18(17-4-2-1-3-16(13)17)19-12-22-11-14-9-15(7-8-23)24-20(14)19/h1-6,9,11-12,23H,7-8H2
InChIKeyUPOHMRZKXAFZNZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.52
Rot. Bonds3

About 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile

4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile (PubChem CID 134220468) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
PubChem CID134220468
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2cncc3cc(CCO)sc23)c2ccccc12
InChIInChI=1S/C20H14N2OS/c21-10-13-5-6-18(17-4-2-1-3-16(13)17)19-12-22-11-14-9-15(7-8-23)24-20(14)19/h1-6,9,11-12,23H,7-8H2
InChIKeyUPOHMRZKXAFZNZ-UHFFFAOYSA-N
XLogP4.52
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile (CID 134220468) is 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile is N#Cc1ccc(-c2cncc3cc(CCO)sc23)c2ccccc12.
What is the InChIKey of 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile?
The InChIKey is UPOHMRZKXAFZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c21-10-13-5-6-18(17-4-2-1-3-16(13)17)19-12-22-11-14-9-15(7-8-23)24-20(14)19/h1-6,9,11-12,23H,7-8H2.
What are the key properties of 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile?
4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile has a molecular weight of 330.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 134220468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).