N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

C15H11F2N3S — CID 9017093

IUPACN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3S/c1-9(11-8-10(16)6-7-12(11)17)19-20-15-18-13-4-2-3-5-14(13)21-15/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyIRLLTWSPPKVPBJ-OCKHKDLRSA-N
MW303.34 g/mol
LogP4.41
Rot. Bonds3

About N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 9017093) has the molecular formula C15H11F2N3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID9017093
Molecular FormulaC15H11F2N3S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESC/C(=N/Nc1nc2ccccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2N3S/c1-9(11-8-10(16)6-7-12(11)17)19-20-15-18-13-4-2-3-5-14(13)21-15/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyIRLLTWSPPKVPBJ-OCKHKDLRSA-N
XLogP4.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.41
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-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 29223445
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 162655441
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]-1H-pyridin-4-one
CID 145130276
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]acetamide
CID 9358699
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]-4-methylphenol
CID 135673260
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine (CID 9017093) is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is C/C(=N/Nc1nc2ccccc2s1)c1cc(F)ccc1F.
What is the InChIKey of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is IRLLTWSPPKVPBJ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H11F2N3S/c1-9(11-8-10(16)6-7-12(11)17)19-20-15-18-13-4-2-3-5-14(13)21-15/h2-8H,1H3,(H,18,20)/b19-9-.
What are the key properties of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 303.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 9017093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).