2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone

C17H13FN4OS — CID 99834979

IUPAC2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCSc2ccncc21
InChIInChI=1S/C17H13FN4OS/c18-12-1-3-13(4-2-12)22-11-20-10-15(22)17(23)21-7-8-24-16-5-6-19-9-14(16)21/h1-6,9-11H,7-8H2
InChIKeyPEABCPYUZAXXSE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.16
Rot. Bonds2

About 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone

2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone (PubChem CID 99834979) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
PubChem CID99834979
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCSc2ccncc21
InChIInChI=1S/C17H13FN4OS/c18-12-1-3-13(4-2-12)22-11-20-10-15(22)17(23)21-7-8-24-16-5-6-19-9-14(16)21/h1-6,9-11H,7-8H2
InChIKeyPEABCPYUZAXXSE-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone (CID 99834979) is 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone is O=C(c1cncn1-c1ccc(F)cc1)N1CCSc2ccncc21.
What is the InChIKey of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The InChIKey is PEABCPYUZAXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-12-1-3-13(4-2-12)22-11-20-10-15(22)17(23)21-7-8-24-16-5-6-19-9-14(16)21/h1-6,9-11H,7-8H2.
What are the key properties of 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone is sourced from PubChem (CID 99834979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).