N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

C20H21N3O2S — CID 3820955

IUPACN-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-25-18-9-5-15(6-10-18)13-21-23-20-22-19(14(2)26-20)16-7-11-17(24-3)12-8-16/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyYQDBKEXAUCONLR-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.97
Rot. Bonds7

About N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 3820955) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID3820955
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)c(C)s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-25-18-9-5-15(6-10-18)13-21-23-20-22-19(14(2)26-20)16-7-11-17(24-3)12-8-16/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyYQDBKEXAUCONLR-UHFFFAOYSA-N
XLogP4.97
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-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-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3664485
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
4-(4-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,3-thiazol-2-amine
CID 6864771
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
N-[(4-ethoxyphenyl)methylideneamino]-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 5056700
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
2-chloro-6-ethoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781789

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 3820955) is N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is CCOc1ccc(C=NNc2nc(-c3ccc(OC)cc3)c(C)s2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is YQDBKEXAUCONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-25-18-9-5-15(6-10-18)13-21-23-20-22-19(14(2)26-20)16-7-11-17(24-3)12-8-16/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 367.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3820955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).