4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C20H18FN5S — CID 4216155

IUPAC4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1CCCn1ccnc1
InChIInChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-
InChIKeyAHWQMRNCOPKAGT-GFMRDNFCSA-N
MW379.46 g/mol
LogP4.27
Rot. Bonds6

About 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 4216155) has the molecular formula C20H18FN5S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID4216155
Molecular FormulaC20H18FN5S
Molecular Weight379.46 g/mol
Exact Mass379.13
IUPAC Name4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1CCCn1ccnc1
InChIInChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-
InChIKeyAHWQMRNCOPKAGT-GFMRDNFCSA-N
XLogP4.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 4216155) is 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1CCCn1ccnc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is AHWQMRNCOPKAGT-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-.
What are the key properties of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 379.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 4216155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).