2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C11H8F4N4S — CID 168625568

IUPAC2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cc(C(F)(F)F)ccc2F)n1
InChIInChI=1S/C11H8F4N4S/c12-8-2-1-7(11(13,14)15)3-6(8)4-17-19-10-18-9(16)5-20-10/h1-5H,16H2,(H,18,19)
InChIKeyVZDZOHUGWSKVTE-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.33
Rot. Bonds3

About 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625568) has the molecular formula C11H8F4N4S and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625568
Molecular FormulaC11H8F4N4S
Molecular Weight304.27 g/mol
Exact Mass304.04
IUPAC Name2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2cc(C(F)(F)F)ccc2F)n1
InChIInChI=1S/C11H8F4N4S/c12-8-2-1-7(11(13,14)15)3-6(8)4-17-19-10-18-9(16)5-20-10/h1-5H,16H2,(H,18,19)
InChIKeyVZDZOHUGWSKVTE-UHFFFAOYSA-N
XLogP3.33
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625820
2-N-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627477
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile
CID 168627739
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619493
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627946
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577667
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619137
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628077

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625568) is 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2cc(C(F)(F)F)ccc2F)n1.
What is the InChIKey of 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is VZDZOHUGWSKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4S/c12-8-2-1-7(11(13,14)15)3-6(8)4-17-19-10-18-9(16)5-20-10/h1-5H,16H2,(H,18,19).
What are the key properties of 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 304.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).