5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]

C19H14F3N3O3S — CID 69164576

IUPAC5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]
SMILESCOc1ccc2c(n1)C1(CO2)SN(Cc2ccc(C(F)(F)F)o2)c2ncccc21
InChIInChI=1S/C19H14F3N3O3S/c1-26-15-7-5-13-16(24-15)18(10-27-13)12-3-2-8-23-17(12)25(29-18)9-11-4-6-14(28-11)19(20,21)22/h2-8H,9-10H2,1H3
InChIKeyQIGZPQHMUCMVOT-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.40
Rot. Bonds3

About 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]

5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] (PubChem CID 69164576) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine].

Molecular Properties

Compound Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]
PubChem CID69164576
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC Name5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]
SMILESCOc1ccc2c(n1)C1(CO2)SN(Cc2ccc(C(F)(F)F)o2)c2ncccc21
InChIInChI=1S/C19H14F3N3O3S/c1-26-15-7-5-13-16(24-15)18(10-27-13)12-3-2-8-23-17(12)25(29-18)9-11-4-6-14(28-11)19(20,21)22/h2-8H,9-10H2,1H3
InChIKeyQIGZPQHMUCMVOT-UHFFFAOYSA-N
XLogP4.40
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]?
The IUPAC name of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] (CID 69164576) is 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine].
What is the SMILES notation for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]?
The canonical SMILES for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] is COc1ccc2c(n1)C1(CO2)SN(Cc2ccc(C(F)(F)F)o2)c2ncccc21.
What is the InChIKey of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]?
The InChIKey is QIGZPQHMUCMVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c1-26-15-7-5-13-16(24-15)18(10-27-13)12-3-2-8-23-17(12)25(29-18)9-11-4-6-14(28-11)19(20,21)22/h2-8H,9-10H2,1H3.
What are the key properties of 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine]?
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] has a molecular weight of 421.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-[1,2]thiazolo[3,4-b]pyridine] is sourced from PubChem (CID 69164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).