3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine

C18H14F2N2S — CID 23994989

IUPAC3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)cc1
InChIInChI=1S/C18H14F2N2S/c19-13-3-1-12(2-4-13)17-11-23-18(22(17)16-9-10-16)21-15-7-5-14(20)6-8-15/h1-8,11,16H,9-10H2/b21-18-
InChIKeyMHXXXIPNSCDCQE-UZYVYHOESA-N
MW328.39 g/mol
LogP5.06
Rot. Bonds3

About 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine

3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 23994989) has the molecular formula C18H14F2N2S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID23994989
Molecular FormulaC18H14F2N2S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)cc1
InChIInChI=1S/C18H14F2N2S/c19-13-3-1-12(2-4-13)17-11-23-18(22(17)16-9-10-16)21-15-7-5-14(20)6-8-15/h1-8,11,16H,9-10H2/b21-18-
InChIKeyMHXXXIPNSCDCQE-UZYVYHOESA-N
XLogP5.06
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 23765123
3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23963290
3-cyclopropyl-N-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23879852
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
3-cyclohexyl-4-(4-fluorophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23912390
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18812844
3-cyclopentyl-N-(2,4-difluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23822632
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine;hydrobromide
CID 2886991
3-cyclooctyl-N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23996195
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3603076
1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82078586
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine (CID 23994989) is 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is MHXXXIPNSCDCQE-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14F2N2S/c19-13-3-1-12(2-4-13)17-11-23-18(22(17)16-9-10-16)21-15-7-5-14(20)6-8-15/h1-8,11,16H,9-10H2/b21-18-.
What are the key properties of 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine?
3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 328.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23994989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).