4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine

C25H24N2O2S — CID 23761409

IUPAC4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc2cc(-c3cs/c(=N\c4ccccc4)n3CC3CCCO3)ccc2c1
InChIInChI=1S/C25H24N2O2S/c1-28-22-12-11-18-14-20(10-9-19(18)15-22)24-17-30-25(26-21-6-3-2-4-7-21)27(24)16-23-8-5-13-29-23/h2-4,6-7,9-12,14-15,17,23H,5,8,13,16H2,1H3/b26-25-
InChIKeyMILGBCKDKOBYHH-QPLCGJKRSA-N
MW416.55 g/mol
LogP5.79
Rot. Bonds5

About 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine

4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 23761409) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID23761409
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc2cc(-c3cs/c(=N\c4ccccc4)n3CC3CCCO3)ccc2c1
InChIInChI=1S/C25H24N2O2S/c1-28-22-12-11-18-14-20(10-9-19(18)15-22)24-17-30-25(26-21-6-3-2-4-7-21)27(24)16-23-8-5-13-29-23/h2-4,6-7,9-12,14-15,17,23H,5,8,13,16H2,1H3/b26-25-
InChIKeyMILGBCKDKOBYHH-QPLCGJKRSA-N
XLogP5.79
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (CID 23761409) is 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is COc1ccc2cc(-c3cs/c(=N\c4ccccc4)n3CC3CCCO3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is MILGBCKDKOBYHH-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-28-22-12-11-18-14-20(10-9-19(18)15-22)24-17-30-25(26-21-6-3-2-4-7-21)27(24)16-23-8-5-13-29-23/h2-4,6-7,9-12,14-15,17,23H,5,8,13,16H2,1H3/b26-25-.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 416.55 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23761409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).