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

C16H12F2N2S — CID 142106070

IUPACN,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2S/c1-20-15(11-2-4-12(17)5-3-11)10-21-16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3/b19-16-
InChIKeySTXHNSADBOXHJN-MNDPQUGUSA-N
MW302.35 g/mol
LogP4.26
Rot. Bonds2

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

N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine (PubChem CID 142106070) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
PubChem CID142106070
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC NameN,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2S/c1-20-15(11-2-4-12(17)5-3-11)10-21-16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3/b19-16-
InChIKeySTXHNSADBOXHJN-MNDPQUGUSA-N
XLogP4.26
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.26
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

4-(4-bromophenyl)-N-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine;hydrobromide
CID 2886991
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
2-chloro-5-[2-(4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527209
3-cyclopropyl-N,4-bis(4-fluorophenyl)-1,3-thiazol-2-imine
CID 23994989
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3603076
3-methyl-N-[4-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]sulfonylphenyl]-4-phenyl-1,3-thiazol-2-imine
CID 122373825
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
CID 1371436
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The IUPAC name of N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine (CID 142106070) is N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine is Cn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
The InChIKey is STXHNSADBOXHJN-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12F2N2S/c1-20-15(11-2-4-12(17)5-3-11)10-21-16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3/b19-16-.
What are the key properties of N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine?
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine has a molecular weight of 302.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 142106070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).