N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C18H17N3OS — CID 27277708

IUPACN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H17N3OS/c1-2-22-16-10-6-7-14(11-16)12-19-21-18-20-17(13-23-18)15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H,20,21)/b19-12-
InChIKeyIFFLGHKISGKOFB-UNOMPAQXSA-N
MW323.42 g/mol
LogP4.65
Rot. Bonds6

About N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 27277708) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID27277708
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1cccc(/C=N\Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H17N3OS/c1-2-22-16-10-6-7-14(11-16)12-19-21-18-20-17(13-23-18)15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H,20,21)/b19-12-
InChIKeyIFFLGHKISGKOFB-UNOMPAQXSA-N
XLogP4.65
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.65
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'}

Analyze N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[(4-ethoxy-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577238
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
N-[[3-(3,5-dichlorophenoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577542
2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576992
2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845141
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578906
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576988
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277479

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 27277708) is N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCOc1cccc(/C=N\Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is IFFLGHKISGKOFB-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-22-16-10-6-7-14(11-16)12-19-21-18-20-17(13-23-18)15-8-4-3-5-9-15/h3-13H,2H2,1H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 323.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 27277708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).