(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

C16H16N4OS2 — CID 9368245

IUPAC(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2cccs2)n1/N=C\c1ccccn1
InChIInChI=1S/C16H16N4OS2/c1-21-9-8-18-16-20(19-11-13-5-2-3-7-17-13)14(12-23-16)15-6-4-10-22-15/h2-7,10-12H,8-9H2,1H3/b18-16-,19-11-
InChIKeyHFEFPJNOTIISJE-WHBZEJOESA-N
MW344.47 g/mol
LogP3.10
Rot. Bonds6

About (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 9368245) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID9368245
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCC/N=c1\scc(-c2cccs2)n1/N=C\c1ccccn1
InChIInChI=1S/C16H16N4OS2/c1-21-9-8-18-16-20(19-11-13-5-2-3-7-17-13)14(12-23-16)15-6-4-10-22-15/h2-7,10-12H,8-9H2,1H3/b18-16-,19-11-
InChIKeyHFEFPJNOTIISJE-WHBZEJOESA-N
XLogP3.10
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
4-[(E)-[2-(2-methoxyethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135521591
(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 8716136
(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9368300
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
(E)-4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904251
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 9368245) is (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is COCC/N=c1\scc(-c2cccs2)n1/N=C\c1ccccn1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is HFEFPJNOTIISJE-WHBZEJOESA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-21-9-8-18-16-20(19-11-13-5-2-3-7-17-13)14(12-23-16)15-6-4-10-22-15/h2-7,10-12H,8-9H2,1H3/b18-16-,19-11-.
What are the key properties of (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 344.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 9368245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).