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

C14H17N3O2S — CID 74170624

IUPACN-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCOc1c(C=NNc2nc(C)cs2)cccc1OC
InChIInChI=1S/C14H17N3O2S/c1-4-19-13-11(6-5-7-12(13)18-3)8-15-17-14-16-10(2)9-20-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyZIBADHQKXAMXBA-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.30
Rot. Bonds6

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

N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 74170624) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID74170624
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCOc1c(C=NNc2nc(C)cs2)cccc1OC
InChIInChI=1S/C14H17N3O2S/c1-4-19-13-11(6-5-7-12(13)18-3)8-15-17-14-16-10(2)9-20-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyZIBADHQKXAMXBA-UHFFFAOYSA-N
XLogP3.30
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.30
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'}

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618452
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618551
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 110339285
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173
N-[(2,3-dibromo-4,5-diethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618822

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 74170624) is N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCOc1c(C=NNc2nc(C)cs2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZIBADHQKXAMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-19-13-11(6-5-7-12(13)18-3)8-15-17-14-16-10(2)9-20-14/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 291.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 74170624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).