4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride

C15H16ClN3O2S — CID 11834426

IUPAC4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride
SMILESCOCCn1c(-c2ccco2)cs/c1=N\c1cccnc1.Cl
InChIInChI=1S/C15H15N3O2S.ClH/c1-19-9-7-18-13(14-5-3-8-20-14)11-21-15(18)17-12-4-2-6-16-10-12;/h2-6,8,10-11H,7,9H2,1H3;1H/b17-15-;
InChIKeyXXROOFMYDCASNL-NYDCQJDFSA-N
MW337.83 g/mol
LogP3.51
Rot. Bonds5

About 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride

4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride (PubChem CID 11834426) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride
PubChem CID11834426
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride
SMILESCOCCn1c(-c2ccco2)cs/c1=N\c1cccnc1.Cl
InChIInChI=1S/C15H15N3O2S.ClH/c1-19-9-7-18-13(14-5-3-8-20-14)11-21-15(18)17-12-4-2-6-16-10-12;/h2-6,8,10-11H,7,9H2,1H3;1H/b17-15-;
InChIKeyXXROOFMYDCASNL-NYDCQJDFSA-N
XLogP3.51
TPSA52.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.51
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 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride?
The IUPAC name of 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride (CID 11834426) is 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride.
What is the SMILES notation for 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride?
The canonical SMILES for 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride is COCCn1c(-c2ccco2)cs/c1=N\c1cccnc1.Cl.
What is the InChIKey of 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride?
The InChIKey is XXROOFMYDCASNL-NYDCQJDFSA-N. The full InChI is InChI=1S/C15H15N3O2S.ClH/c1-19-9-7-18-13(14-5-3-8-20-14)11-21-15(18)17-12-4-2-6-16-10-12;/h2-6,8,10-11H,7,9H2,1H3;1H/b17-15-;.
What are the key properties of 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride?
4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-(2-methoxyethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine;hydrochloride is sourced from PubChem (CID 11834426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).