N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

C15H12FN3S — CID 29223445

IUPACN-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2s1)c1cccc(F)c1
InChIInChI=1S/C15H12FN3S/c1-10(11-5-4-6-12(16)9-11)18-19-15-17-13-7-2-3-8-14(13)20-15/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyMLRZTHJDERRTIM-ZDLGFXPLSA-N
MW285.35 g/mol
LogP4.27
Rot. Bonds3

About N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 29223445) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID29223445
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC NameN-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2s1)c1cccc(F)c1
InChIInChI=1S/C15H12FN3S/c1-10(11-5-4-6-12(16)9-11)18-19-15-17-13-7-2-3-8-14(13)20-15/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyMLRZTHJDERRTIM-ZDLGFXPLSA-N
XLogP4.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.27
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

N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017093
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
3-[3-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]-1,3-oxazolidin-2-one
CID 126798842
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 162655441
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1H-pyridin-4-one
CID 145130276
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
6-[5-[N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]thiophen-2-yl]pyridine-2-carboxylic acid
CID 78168402
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (CID 29223445) is N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is C/C(=N/Nc1nc2ccccc2s1)c1cccc(F)c1.
What is the InChIKey of N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is MLRZTHJDERRTIM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-10(11-5-4-6-12(16)9-11)18-19-15-17-13-7-2-3-8-14(13)20-15/h2-9H,1H3,(H,17,19)/b18-10-.
What are the key properties of N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 29223445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).