N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C20H19N3OS — CID 5056700

IUPACN-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCCOc1ccc(C=NNc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C20H19N3OS/c1-2-24-16-10-7-14(8-11-16)13-21-23-20-22-19-17-6-4-3-5-15(17)9-12-18(19)25-20/h3-8,10-11,13H,2,9,12H2,1H3,(H,22,23)
InChIKeyXRTDXWOUWIVJKS-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.75
Rot. Bonds5

About N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 5056700) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID5056700
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCCOc1ccc(C=NNc2nc3c(s2)CCc2ccccc2-3)cc1
InChIInChI=1S/C20H19N3OS/c1-2-24-16-10-7-14(8-11-16)13-21-23-20-22-19-17-6-4-3-5-15(17)9-12-18(19)25-20/h3-8,10-11,13H,2,9,12H2,1H3,(H,22,23)
InChIKeyXRTDXWOUWIVJKS-UHFFFAOYSA-N
XLogP4.75
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.75
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

N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
ethyl 2-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 6062885
4-(4-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,3-thiazol-2-amine
CID 6864771
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23855954
N-[(E)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-5-[(4-methoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-amine
CID 135665909
N-[(2-ethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 2790836

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 5056700) is N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is CCOc1ccc(C=NNc2nc3c(s2)CCc2ccccc2-3)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is XRTDXWOUWIVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-2-24-16-10-7-14(8-11-16)13-21-23-20-22-19-17-6-4-3-5-15(17)9-12-18(19)25-20/h3-8,10-11,13H,2,9,12H2,1H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 5056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).