2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile

C19H11Cl2N5S — CID 46866161

IUPAC2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccnc(N)c2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)16-13(9-22)17(10-3-4-24-15(23)7-10)27-18(16)19-25-5-6-26-19/h1-8H,(H2,23,24)(H,25,26)
InChIKeyLSTNJGZZLYOKFN-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.63
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile

2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile (PubChem CID 46866161) has the molecular formula C19H11Cl2N5S and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
PubChem CID46866161
Molecular FormulaC19H11Cl2N5S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC Name2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccnc(N)c2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)16-13(9-22)17(10-3-4-24-15(23)7-10)27-18(16)19-25-5-6-26-19/h1-8H,(H2,23,24)(H,25,26)
InChIKeyLSTNJGZZLYOKFN-UHFFFAOYSA-N
XLogP5.63
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile (CID 46866161) is 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile is N#Cc1c(-c2ccnc(N)c2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The InChIKey is LSTNJGZZLYOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)16-13(9-22)17(10-3-4-24-15(23)7-10)27-18(16)19-25-5-6-26-19/h1-8H,(H2,23,24)(H,25,26).
What are the key properties of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile has a molecular weight of 412.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 46866161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).