N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C20H21N3OS — CID 23102412

IUPACN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C20H21N3OS/c1-4-24-18-11-9-16(10-12-18)15(3)22-23-20-21-19(13-25-20)17-7-5-14(2)6-8-17/h5-13H,4H2,1-3H3,(H,21,23)/b22-15+
InChIKeyWBIDVXGJBJFHDZ-PXLXIMEGSA-N
MW351.48 g/mol
LogP5.35
Rot. Bonds6

About N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 23102412) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID23102412
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C20H21N3OS/c1-4-24-18-11-9-16(10-12-18)15(3)22-23-20-21-19(13-25-20)17-7-5-14(2)6-8-17/h5-13H,4H2,1-3H3,(H,21,23)/b22-15+
InChIKeyWBIDVXGJBJFHDZ-PXLXIMEGSA-N
XLogP5.35
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.35
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-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 91823777
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 23102412) is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1.
What is the InChIKey of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WBIDVXGJBJFHDZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-4-24-18-11-9-16(10-12-18)15(3)22-23-20-21-19(13-25-20)17-7-5-14(2)6-8-17/h5-13H,4H2,1-3H3,(H,21,23)/b22-15+.
What are the key properties of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 351.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23102412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).