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

C18H19N3O2S2 — CID 23996342

IUPAC3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCOc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C)cc1OC
InChIInChI=1S/C18H19N3O2S2/c1-4-23-15-8-7-13(10-16(15)22-3)11-20-21-14(12-25-18(21)19-2)17-6-5-9-24-17/h5-12H,4H2,1-3H3/b19-18-,20-11?
InChIKeyOLGIAFVLLPFSSM-XVMHJPEWSA-N
MW373.50 g/mol
LogP4.10
Rot. Bonds6

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

3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23996342) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23996342
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCOc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C)cc1OC
InChIInChI=1S/C18H19N3O2S2/c1-4-23-15-8-7-13(10-16(15)22-3)11-20-21-14(12-25-18(21)19-2)17-6-5-9-24-17/h5-12H,4H2,1-3H3/b19-18-,20-11?
InChIKeyOLGIAFVLLPFSSM-XVMHJPEWSA-N
XLogP4.10
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23761943
4-(5-bromothiophen-2-yl)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 2434003
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240
4-(1-benzofuran-2-yl)-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23912014
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23879982
2-[2-methoxy-4-[[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 2438738
3-[(2-methoxynaphthalen-1-yl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23937398
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858880
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534176
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23996342) is 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine is CCOc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\C)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is OLGIAFVLLPFSSM-XVMHJPEWSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-23-15-8-7-13(10-16(15)22-3)11-20-21-14(12-25-18(21)19-2)17-6-5-9-24-17/h5-12H,4H2,1-3H3/b19-18-,20-11?.
What are the key properties of 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 373.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23996342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).