(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine

C24H24FN3S — CID 6088460

IUPAC(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2F)n1/N=C1/CCCCc2ccccc21
InChIInChI=1S/C24H24FN3S/c1-17(2)15-26-24-28(23(16-29-24)20-12-6-7-13-21(20)25)27-22-14-8-4-10-18-9-3-5-11-19(18)22/h3,5-7,9,11-13,16H,1,4,8,10,14-15H2,2H3/b26-24-,27-22-
InChIKeyRUTGVLJIWVSKAY-QHNYZNEHSA-N
MW405.54 g/mol
LogP5.81
Rot. Bonds4

About (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine

(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine (PubChem CID 6088460) has the molecular formula C24H24FN3S and a molecular weight of 405.54 g/mol. Its IUPAC name is (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
PubChem CID6088460
Molecular FormulaC24H24FN3S
Molecular Weight405.54 g/mol
Exact Mass405.17
IUPAC Name(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2F)n1/N=C1/CCCCc2ccccc21
InChIInChI=1S/C24H24FN3S/c1-17(2)15-26-24-28(23(16-29-24)20-12-6-7-13-21(20)25)27-22-14-8-4-10-18-9-3-5-11-19(18)22/h3,5-7,9,11-13,16H,1,4,8,10,14-15H2,2H3/b26-24-,27-22-
InChIKeyRUTGVLJIWVSKAY-QHNYZNEHSA-N
XLogP5.81
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine (CID 6088460) is (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccccc2F)n1/N=C1/CCCCc2ccccc21.
What is the InChIKey of (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine?
The InChIKey is RUTGVLJIWVSKAY-QHNYZNEHSA-N. The full InChI is InChI=1S/C24H24FN3S/c1-17(2)15-26-24-28(23(16-29-24)20-12-6-7-13-21(20)25)27-22-14-8-4-10-18-9-3-5-11-19(18)22/h3,5-7,9,11-13,16H,1,4,8,10,14-15H2,2H3/b26-24-,27-22-.
What are the key properties of (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine has a molecular weight of 405.54 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6088460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).