N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine

C20H21N3O3S — CID 6900726

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2csc(N/N=C/c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)17-13-27-20(22-17)23-21-12-14-5-10-18(24-2)19(11-14)25-3/h5-13H,4H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNIHLCNUDXCHTOH-CIAFOILYSA-N
MW383.47 g/mol
LogP4.67
Rot. Bonds8

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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 6900726) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID6900726
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2csc(N/N=C/c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)17-13-27-20(22-17)23-21-12-14-5-10-18(24-2)19(11-14)25-3/h5-13H,4H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNIHLCNUDXCHTOH-CIAFOILYSA-N
XLogP4.67
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
(E)-4-(2-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
CID 135650114
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
4-allyl-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole-3-thiol
CID 1478843
4-(4-Ethoxyphenyl)-1,3-thiazol-2-amine
CID 613217
5-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2460529

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine (CID 6900726) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(-c2csc(N/N=C/c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is NIHLCNUDXCHTOH-CIAFOILYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)17-13-27-20(22-17)23-21-12-14-5-10-18(24-2)19(11-14)25-3/h5-13H,4H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 383.47 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6900726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).