4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine

C21H21FN4S — CID 23824142

IUPAC4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC1CCC(=Nn2c(-c3ccc(F)cc3)cs/c2=N\c2cccnc2)CC1
InChIInChI=1S/C21H21FN4S/c1-15-4-10-18(11-5-15)25-26-20(16-6-8-17(22)9-7-16)14-27-21(26)24-19-3-2-12-23-13-19/h2-3,6-9,12-15H,4-5,10-11H2,1H3/b24-21-,25-18-
InChIKeyCPZPKRBLGLNDIA-AISWSHDTSA-N
MW380.49 g/mol
LogP5.40
Rot. Bonds3

About 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23824142) has the molecular formula C21H21FN4S and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23824142
Molecular FormulaC21H21FN4S
Molecular Weight380.49 g/mol
Exact Mass380.15
IUPAC Name4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC1CCC(=Nn2c(-c3ccc(F)cc3)cs/c2=N\c2cccnc2)CC1
InChIInChI=1S/C21H21FN4S/c1-15-4-10-18(11-5-15)25-26-20(16-6-8-17(22)9-7-16)14-27-21(26)24-19-3-2-12-23-13-19/h2-3,6-9,12-15H,4-5,10-11H2,1H3/b24-21-,25-18-
InChIKeyCPZPKRBLGLNDIA-AISWSHDTSA-N
XLogP5.40
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23824142) is 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine is CC1CCC(=Nn2c(-c3ccc(F)cc3)cs/c2=N\c2cccnc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is CPZPKRBLGLNDIA-AISWSHDTSA-N. The full InChI is InChI=1S/C21H21FN4S/c1-15-4-10-18(11-5-15)25-26-20(16-6-8-17(22)9-7-16)14-27-21(26)24-19-3-2-12-23-13-19/h2-3,6-9,12-15H,4-5,10-11H2,1H3/b24-21-,25-18-.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 380.49 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(4-methylcyclohexylidene)amino]-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23824142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).