N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine

C15H10F3N3S — CID 3963202

IUPACN-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1cccc(C=NNc2nc3ccccc3s2)c1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-21-14-20-12-6-1-2-7-13(12)22-14/h1-9H,(H,20,21)
InChIKeyJAOMJTAYZBGQHR-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.76
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine

N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 3963202) has the molecular formula C15H10F3N3S and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
PubChem CID3963202
Molecular FormulaC15H10F3N3S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1cccc(C=NNc2nc3ccccc3s2)c1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-21-14-20-12-6-1-2-7-13(12)22-14/h1-9H,(H,20,21)
InChIKeyJAOMJTAYZBGQHR-UHFFFAOYSA-N
XLogP4.76
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol;4-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 173032532
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-ditert-butylphenol
CID 5268843
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 40650984
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(Z)-[3-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6066301
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzonitrile
CID 5099485
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine (CID 3963202) is N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is FC(F)(F)c1cccc(C=NNc2nc3ccccc3s2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is JAOMJTAYZBGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-21-14-20-12-6-1-2-7-13(12)22-14/h1-9H,(H,20,21).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine?
N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 321.33 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3963202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).