2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C22H20FN3O2S2 — CID 169134764

IUPAC2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOCCOc1cc(F)ccc1-c1c(-c2nc3c(s2)CNCC3)ncc2ccsc12
InChIInChI=1S/C22H20FN3O2S2/c1-27-7-8-28-17-10-14(23)2-3-15(17)19-20(25-11-13-5-9-29-21(13)19)22-26-16-4-6-24-12-18(16)30-22/h2-3,5,9-11,24H,4,6-8,12H2,1H3
InChIKeyYBCOICXRRDKZPC-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.90
Rot. Bonds6

About 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 169134764) has the molecular formula C22H20FN3O2S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID169134764
Molecular FormulaC22H20FN3O2S2
Molecular Weight441.55 g/mol
Exact Mass441.10
IUPAC Name2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOCCOc1cc(F)ccc1-c1c(-c2nc3c(s2)CNCC3)ncc2ccsc12
InChIInChI=1S/C22H20FN3O2S2/c1-27-7-8-28-17-10-14(23)2-3-15(17)19-20(25-11-13-5-9-29-21(13)19)22-26-16-4-6-24-12-18(16)30-22/h2-3,5,9-11,24H,4,6-8,12H2,1H3
InChIKeyYBCOICXRRDKZPC-UHFFFAOYSA-N
XLogP4.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-[4-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
Methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]acetate
CID 118059102
[2-[7-[4-Fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-1,3-thiazol-4-yl]methanol
CID 169134032
N-[[2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-1,3-thiazol-4-yl]methyl]prop-2-enamide
CID 169135995
1-[2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]prop-2-en-1-one
CID 169136002
N-{[5-fluoro-7-(3-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-[(4-methyl-1,3-thiazol-2-yl)thio]acetamide
CID 45192683
1-[3-Fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 58207730
2-[2-[2-[[6-[7-(2-Fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methylamino]ethoxy]ethoxy]ethanamine
CID 68050989
4-[2-(6-Butoxy-3-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline
CID 68069628
2-Butylsulfinyl-4-[4-(2-fluoroethoxy)phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 122624245
1-[3-Fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-propylimidazolidine-2-thione
CID 123474695
4-[2-[5-(1,3-Dioxolan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-2-fluoro-3-methylaniline
CID 123496545

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 169134764) is 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is COCCOc1cc(F)ccc1-c1c(-c2nc3c(s2)CNCC3)ncc2ccsc12.
What is the InChIKey of 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YBCOICXRRDKZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S2/c1-27-7-8-28-17-10-14(23)2-3-15(17)19-20(25-11-13-5-9-29-21(13)19)22-26-16-4-6-24-12-18(16)30-22/h2-3,5,9-11,24H,4,6-8,12H2,1H3.
What are the key properties of 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 441.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 169134764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).