3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C15H15N3OS2 — CID 3923344

IUPAC3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2cccs2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H15N3OS2/c1-19-8-7-18-13(14-5-3-9-20-14)11-21-15(18)17-12-4-2-6-16-10-12/h2-6,9-11H,7-8H2,1H3/b17-15-
InChIKeyLCXVNQKNCPIPMO-ICFOKQHNSA-N
MW317.44 g/mol
LogP3.55
Rot. Bonds5

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

3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 3923344) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID3923344
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2cccs2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H15N3OS2/c1-19-8-7-18-13(14-5-3-9-20-14)11-21-15(18)17-12-4-2-6-16-10-12/h2-6,9-11H,7-8H2,1H3/b17-15-
InChIKeyLCXVNQKNCPIPMO-ICFOKQHNSA-N
XLogP3.55
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 3923344) is 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is COCCn1c(-c2cccs2)cs/c1=N\c1cccnc1.
What is the InChIKey of 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is LCXVNQKNCPIPMO-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-19-8-7-18-13(14-5-3-9-20-14)11-21-15(18)17-12-4-2-6-16-10-12/h2-6,9-11H,7-8H2,1H3/b17-15-.
What are the key properties of 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 317.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3923344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).