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

C19H18FN3S — CID 23763608

IUPAC3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCC1
InChIInChI=1S/C19H18FN3S/c20-17-10-4-3-9-16(17)18-13-24-19(22-14-6-5-11-21-12-14)23(18)15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2/b22-19-
InChIKeyZNBJFIXMKSOABO-QOCHGBHMSA-N
MW339.44 g/mol
LogP5.10
Rot. Bonds3

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

3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23763608) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23763608
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCC1
InChIInChI=1S/C19H18FN3S/c20-17-10-4-3-9-16(17)18-13-24-19(22-14-6-5-11-21-12-14)23(18)15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2/b22-19-
InChIKeyZNBJFIXMKSOABO-QOCHGBHMSA-N
XLogP5.10
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23763608) is 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is ZNBJFIXMKSOABO-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3S/c20-17-10-4-3-9-16(17)18-13-24-19(22-14-6-5-11-21-12-14)23(18)15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2/b22-19-.
What are the key properties of 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 339.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).