4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile

C19H15N5S — CID 69255362

IUPAC4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(-c3ccccc3)cc2c1NCCc1cnc[nH]1
InChIInChI=1S/C19H15N5S/c20-9-14-10-23-19-16(8-17(25-19)13-4-2-1-3-5-13)18(14)22-7-6-15-11-21-12-24-15/h1-5,8,10-12H,6-7H2,(H,21,24)(H,22,23)
InChIKeyLUJVQIDRZSMJHM-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.21
Rot. Bonds5

About 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile

4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69255362) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69255362
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(-c3ccccc3)cc2c1NCCc1cnc[nH]1
InChIInChI=1S/C19H15N5S/c20-9-14-10-23-19-16(8-17(25-19)13-4-2-1-3-5-13)18(14)22-7-6-15-11-21-12-24-15/h1-5,8,10-12H,6-7H2,(H,21,24)(H,22,23)
InChIKeyLUJVQIDRZSMJHM-UHFFFAOYSA-N
XLogP4.21
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile (CID 69255362) is 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2sc(-c3ccccc3)cc2c1NCCc1cnc[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is LUJVQIDRZSMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c20-9-14-10-23-19-16(8-17(25-19)13-4-2-1-3-5-13)18(14)22-7-6-15-11-21-12-24-15/h1-5,8,10-12H,6-7H2,(H,21,24)(H,22,23).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile?
4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 345.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethylamino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).