N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine

C22H19N3OS — CID 3249853

IUPACN-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESCC(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19N3OS/c1-16(24-25-22-23-20-9-5-6-10-21(20)27-22)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYQUJOCXTRSSULP-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.71
Rot. Bonds6

About N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine

N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 3249853) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID3249853
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILESCC(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19N3OS/c1-16(24-25-22-23-20-9-5-6-10-21(20)27-22)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYQUJOCXTRSSULP-UHFFFAOYSA-N
XLogP5.71
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
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

4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
N-[(Z)-1-(3-fluorophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 29223445
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340
N-[(E)-1-(2-aminophenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 162655441
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
N-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
CID 5351439
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate
CID 23908196

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine (CID 3249853) is N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine is CC(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is YQUJOCXTRSSULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16(24-25-22-23-20-9-5-6-10-21(20)27-22)18-11-13-19(14-12-18)26-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine?
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 373.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3249853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).