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

C20H20FN3S — CID 23987459

IUPAC3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCCC1
InChIInChI=1S/C20H20FN3S/c21-18-11-5-4-10-17(18)19-14-25-20(23-15-7-6-12-22-13-15)24(19)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2/b23-20-
InChIKeyRZLWNLACSJGXOS-ATJXCDBQSA-N
MW353.47 g/mol
LogP5.49
Rot. Bonds3

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

3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23987459) has the molecular formula C20H20FN3S and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23987459
Molecular FormulaC20H20FN3S
Molecular Weight353.47 g/mol
Exact Mass353.14
IUPAC Name3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCCC1
InChIInChI=1S/C20H20FN3S/c21-18-11-5-4-10-17(18)19-14-25-20(23-15-7-6-12-22-13-15)24(19)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2/b23-20-
InChIKeyRZLWNLACSJGXOS-ATJXCDBQSA-N
XLogP5.49
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.49
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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Related Compounds

(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905520
3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 3899146
4-phenyl-N-prop-2-enyl-3-(2-pyridinylmethylideneamino)-2-thiazolimine
CID 6902581
(E)-N-ethyl-4-phenyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6902614
(E)-4-(4-fluorophenyl)-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905603
4-(2-fluorophenyl)-N-methyl-3-[1-(3-pyridinyl)ethylideneamino]-2-thiazolimine
CID 9666217
3-[(1-Benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
CID 11010423
2-Phenyl-1-(3-pyridylmethyl)-1,5,6,7,8-pentahydroquinazoline-4-thione
CID 3644975
1-Benzyl-4-(pyridin-3-yl)piperazine
CID 21815409
4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 3961832
4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 4216155
3-butyl-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 4540494

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23987459) is 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is RZLWNLACSJGXOS-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20FN3S/c21-18-11-5-4-10-17(18)19-14-25-20(23-15-7-6-12-22-13-15)24(19)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2/b23-20-.
What are the key properties of 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 353.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(2-fluorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).