2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole

C17H11F2N3O2S2 — CID 14426029

IUPAC2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESO=S(Cc1cc(Oc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1
InChIInChI=1S/C17H11F2N3O2S2/c18-10-1-2-16(13(19)5-10)24-12-3-4-20-11(6-12)9-26(23)17-21-14-7-25-8-15(14)22-17/h1-8H,9H2,(H,21,22)
InChIKeyOSLPBOVMXCOIPI-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.40
Rot. Bonds5

About 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole

2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole (PubChem CID 14426029) has the molecular formula C17H11F2N3O2S2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
PubChem CID14426029
Molecular FormulaC17H11F2N3O2S2
Molecular Weight391.42 g/mol
Exact Mass391.03
IUPAC Name2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
SMILESO=S(Cc1cc(Oc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1
InChIInChI=1S/C17H11F2N3O2S2/c18-10-1-2-16(13(19)5-10)24-12-3-4-20-11(6-12)9-26(23)17-21-14-7-25-8-15(14)22-17/h1-8H,9H2,(H,21,22)
InChIKeyOSLPBOVMXCOIPI-UHFFFAOYSA-N
XLogP4.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Saviprazole
CID 65942
2-[(3-chloro-4-methoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14154368
2-[3-Methoxy-4-(2,2,3,3-tetrafluoro-propoxy)-pyridin-2-ylmethanesulfinyl]-3H-thieno[3,4-d]imidazole
CID 14403007
2-[[3-Methoxy-4-(2,2,3,3,3-pentafluoropropyloxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14403008
2-[[4-(4-Trifluoromethylbenzyloxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14426000
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14426024
2-[[3-Methoxy-4-(4-trifluoromethylbenzyloxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14426025
2-[[3-Methoxy-4-[3,5-bis(trifluoromethyl)benzyloxy]-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14426026
2-[[4-(2,2,3,3,3-Pentafluoropropyloxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14721628
2-[[5-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133683
4,6-Dimethyl-2-[[4-(2,2,3,3,3-pentafluoropropyloxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 15133691
2-[(4-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
CID 14154365

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole (CID 14426029) is 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole is O=S(Cc1cc(Oc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1.
What is the InChIKey of 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole?
The InChIKey is OSLPBOVMXCOIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S2/c18-10-1-2-16(13(19)5-10)24-12-3-4-20-11(6-12)9-26(23)17-21-14-7-25-8-15(14)22-17/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole?
2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole has a molecular weight of 391.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-difluorophenoxy)-2-pyridinyl]methylsulfinyl]-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 14426029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).